bis(carbon dioxide);(3R)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dipropylpiperidin-4-amine;ethyl 2-[[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]-methylamino]acetate

C127H164N20O10 — CID 158865432

IUPACbis(carbon dioxide);(3R)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dipropylpiperidin-4-amine;ethyl 2-[[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]-methylamino]acetate
SMILESCCCN(CCC)C1CCN(c2ccc3nc(C4CC4)nc(N4CCC(c5ccccc5OC)CC4)c3c2)CC1.CCOC(=O)CN(C)C1CCN(c2ccc3nc(C4CC4)nc(N4CCC(c5ccccc5OC)CC4)c3c2)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@@H](N(C)C)C4)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@H](N(C)C)C4)cc23)CC1.O=C=O.O=C=O
InChIInChI=1S/C34H47N5O.C33H43N5O3.2C29H37N5O.2CO2/c1-4-18-37(19-5-2)27-16-22-38(23-17-27)28-12-13-31-30(24-28)34(36-33(35-31)26-10-11-26)39-20-14-25(15-21-39)29-8-6-7-9-32(29)40-3;1-4-41-31(39)22-36(2)25-15-19-37(20-16-25)26-11-12-29-28(21-26)33(35-32(34-29)24-9-10-24)38-17-13-23(14-18-38)27-7-5-6-8-30(27)40-3;2*1-32(2)23-14-17-34(19-23)22-10-11-26-25(18-22)29(31-28(30-26)21-8-9-21)33-15-12-20(13-16-33)24-6-4-5-7-27(24)35-3;2*2-1-3/h6-9,12-13,24-27H,4-5,10-11,14-23H2,1-3H3;5-8,11-12,21,23-25H,4,9-10,13-20,22H2,1-3H3;2*4-7,10-11,18,20-21,23H,8-9,12-17,19H2,1-3H3;;/t;;2*23-;;/m..10../s1
InChIKeyJBEBORAMKXTGHE-IHJYNAMZSA-N
MW2130.84 g/mol
LogP21.27
Rot. Bonds31

About bis(carbon dioxide);(3R)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dipropylpiperidin-4-amine;ethyl 2-[[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]-methylamino]acetate

bis(carbon dioxide);(3R)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dipropylpiperidin-4-amine;ethyl 2-[[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]-methylamino]acetate (PubChem CID 158865432) has the molecular formula C127H164N20O10 and a molecular weight of 2130.84 g/mol. Its IUPAC name is bis(carbon dioxide);(3R)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dipropylpiperidin-4-amine;ethyl 2-[[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]-methylamino]acetate.

Molecular Properties

Compound Namebis(carbon dioxide);(3R)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dipropylpiperidin-4-amine;ethyl 2-[[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]-methylamino]acetate
PubChem CID158865432
Molecular FormulaC127H164N20O10
Molecular Weight2130.84 g/mol
Exact Mass2129.29
IUPAC Namebis(carbon dioxide);(3R)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dipropylpiperidin-4-amine;ethyl 2-[[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]-methylamino]acetate
SMILESCCCN(CCC)C1CCN(c2ccc3nc(C4CC4)nc(N4CCC(c5ccccc5OC)CC4)c3c2)CC1.CCOC(=O)CN(C)C1CCN(c2ccc3nc(C4CC4)nc(N4CCC(c5ccccc5OC)CC4)c3c2)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@@H](N(C)C)C4)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@H](N(C)C)C4)cc23)CC1.O=C=O.O=C=O
InChIInChI=1S/C34H47N5O.C33H43N5O3.2C29H37N5O.2CO2/c1-4-18-37(19-5-2)27-16-22-38(23-17-27)28-12-13-31-30(24-28)34(36-33(35-31)26-10-11-26)39-20-14-25(15-21-39)29-8-6-7-9-32(29)40-3;1-4-41-31(39)22-36(2)25-15-19-37(20-16-25)26-11-12-29-28(21-26)33(35-32(34-29)24-9-10-24)38-17-13-23(14-18-38)27-7-5-6-8-30(27)40-3;2*1-32(2)23-14-17-34(19-23)22-10-11-26-25(18-22)29(31-28(30-26)21-8-9-21)33-15-12-20(13-16-33)24-6-4-5-7-27(24)35-3;2*2-1-3/h6-9,12-13,24-27H,4-5,10-11,14-23H2,1-3H3;5-8,11-12,21,23-25H,4,9-10,13-20,22H2,1-3H3;2*4-7,10-11,18,20-21,23H,8-9,12-17,19H2,1-3H3;;/t;;2*23-;;/m..10../s1
InChIKeyJBEBORAMKXTGHE-IHJYNAMZSA-N
XLogP21.27
TPSA273.50 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds31
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002130.84
LogP ≤ 521.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze bis(carbon dioxide);(3R)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dipropylpiperidin-4-amine;ethyl 2-[[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]-methylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine
CID 90237274
US10118902, Example 174
CID 118610260
US10118902, Example 176
CID 118617789
US10118902, Example 34
CID 90237301
US10118902, Example 17
CID 118617570
US10118902, Example 48
CID 118617792
US10118902, Example 60
CID 118617589
US10118902, Example 180
CID 118610446
US10118902, Example 71
CID 118617722
US10118902, Example 179
CID 118610293
US10118902, Example 80
CID 118610256
US10118902, Example 46
CID 118617574

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);(3R)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dipropylpiperidin-4-amine;ethyl 2-[[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]-methylamino]acetate?
The IUPAC name of bis(carbon dioxide);(3R)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dipropylpiperidin-4-amine;ethyl 2-[[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]-methylamino]acetate (CID 158865432) is bis(carbon dioxide);(3R)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dipropylpiperidin-4-amine;ethyl 2-[[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]-methylamino]acetate.
What is the SMILES notation for bis(carbon dioxide);(3R)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dipropylpiperidin-4-amine;ethyl 2-[[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]-methylamino]acetate?
The canonical SMILES for bis(carbon dioxide);(3R)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dipropylpiperidin-4-amine;ethyl 2-[[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]-methylamino]acetate is CCCN(CCC)C1CCN(c2ccc3nc(C4CC4)nc(N4CCC(c5ccccc5OC)CC4)c3c2)CC1.CCOC(=O)CN(C)C1CCN(c2ccc3nc(C4CC4)nc(N4CCC(c5ccccc5OC)CC4)c3c2)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@@H](N(C)C)C4)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@H](N(C)C)C4)cc23)CC1.O=C=O.O=C=O.
What is the InChIKey of bis(carbon dioxide);(3R)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dipropylpiperidin-4-amine;ethyl 2-[[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]-methylamino]acetate?
The InChIKey is JBEBORAMKXTGHE-IHJYNAMZSA-N. The full InChI is InChI=1S/C34H47N5O.C33H43N5O3.2C29H37N5O.2CO2/c1-4-18-37(19-5-2)27-16-22-38(23-17-27)28-12-13-31-30(24-28)34(36-33(35-31)26-10-11-26)39-20-14-25(15-21-39)29-8-6-7-9-32(29)40-3;1-4-41-31(39)22-36(2)25-15-19-37(20-16-25)26-11-12-29-28(21-26)33(35-32(34-29)24-9-10-24)38-17-13-23(14-18-38)27-7-5-6-8-30(27)40-3;2*1-32(2)23-14-17-34(19-23)22-10-11-26-25(18-22)29(31-28(30-26)21-8-9-21)33-15-12-20(13-16-33)24-6-4-5-7-27(24)35-3;2*2-1-3/h6-9,12-13,24-27H,4-5,10-11,14-23H2,1-3H3;5-8,11-12,21,23-25H,4,9-10,13-20,22H2,1-3H3;2*4-7,10-11,18,20-21,23H,8-9,12-17,19H2,1-3H3;;/t;;2*23-;;/m..10../s1.
What are the key properties of bis(carbon dioxide);(3R)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dipropylpiperidin-4-amine;ethyl 2-[[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]-methylamino]acetate?
bis(carbon dioxide);(3R)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dipropylpiperidin-4-amine;ethyl 2-[[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]-methylamino]acetate has a molecular weight of 2130.84 g/mol, XLogP of 21.27, 31 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbon dioxide);(3R)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dimethylpyrrolidin-3-amine;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-N,N-dipropylpiperidin-4-amine;ethyl 2-[[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]-methylamino]acetate is sourced from PubChem (CID 158865432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).