2-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline

C27H35N5O3 — CID 134171724

IUPAC2-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
SMILESCOc1cc2nc([C@@H]3CN(C)C[C@H]3C)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC
InChIInChI=1S/C27H35N5O3/c1-18-16-30(2)17-20(18)26-28-21-15-25(35-5)24(34-4)14-19(21)27(29-26)32-12-10-31(11-13-32)22-8-6-7-9-23(22)33-3/h6-9,14-15,18,20H,10-13,16-17H2,1-5H3/t18-,20-/m1/s1
InChIKeyFOCYXZGUGRNWPS-UYAOXDASSA-N
MW477.61 g/mol
LogP3.65
Rot. Bonds6

About 2-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline

2-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline (PubChem CID 134171724) has the molecular formula C27H35N5O3 and a molecular weight of 477.61 g/mol. Its IUPAC name is 2-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name2-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
PubChem CID134171724
Molecular FormulaC27H35N5O3
Molecular Weight477.61 g/mol
Exact Mass477.27
IUPAC Name2-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
SMILESCOc1cc2nc([C@@H]3CN(C)C[C@H]3C)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC
InChIInChI=1S/C27H35N5O3/c1-18-16-30(2)17-20(18)26-28-21-15-25(35-5)24(34-4)14-19(21)27(29-26)32-12-10-31(11-13-32)22-8-6-7-9-23(22)33-3/h6-9,14-15,18,20H,10-13,16-17H2,1-5H3/t18-,20-/m1/s1
InChIKeyFOCYXZGUGRNWPS-UYAOXDASSA-N
XLogP3.65
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyrrolidin-3-ylquinazoline
CID 90237774
2-cyclopropyl-6-fluoro-7-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
CID 90237473
2-benzyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
CID 53245615
6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylquinazoline
CID 90236943
6,7-dimethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-4-amine
CID 3076908
[3-[4-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-4-methoxyphenyl]methanamine
CID 76902422
N-butan-2-yl-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-6-amine
CID 166680277
2-cyclohexyl-6,7-dimethoxy-4-piperidin-1-ylquinazoline
CID 134111359
2-[4-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-5-methoxybenzonitrile
CID 76901094
4-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentyl-6,7-dimethoxyquinazoline
CID 171989287
4-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-(2-phenylethyl)quinazoline
CID 56696133
4-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-2-cyclopropyl-6,7-dimethoxyquinazoline
CID 76902614

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline?
The IUPAC name of 2-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline (CID 134171724) is 2-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline.
What is the SMILES notation for 2-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline?
The canonical SMILES for 2-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline is COc1cc2nc([C@@H]3CN(C)C[C@H]3C)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC.
What is the InChIKey of 2-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline?
The InChIKey is FOCYXZGUGRNWPS-UYAOXDASSA-N. The full InChI is InChI=1S/C27H35N5O3/c1-18-16-30(2)17-20(18)26-28-21-15-25(35-5)24(34-4)14-19(21)27(29-26)32-12-10-31(11-13-32)22-8-6-7-9-23(22)33-3/h6-9,14-15,18,20H,10-13,16-17H2,1-5H3/t18-,20-/m1/s1.
What are the key properties of 2-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline?
2-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline has a molecular weight of 477.61 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline is sourced from PubChem (CID 134171724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).