N-(cyclopropylmethyl)-N-[3-(ethoxymethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-(2-imidazol-1-ylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(2,5,5-trimethyl-4H-imidazol-3-yl)ethyl]quinoxalin-6-amine;3-[2-hydroxybutyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide

C104H115N25O9 — CID 159576031

IUPACN-(cyclopropylmethyl)-N-[3-(ethoxymethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-(2-imidazol-1-ylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(2,5,5-trimethyl-4H-imidazol-3-yl)ethyl]quinoxalin-6-amine;3-[2-hydroxybutyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide
SMILESCCC(O)CN(c1cc(OC)cc(C(=O)NC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.CCOCc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CC(C)(C)N=C2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCn2ccnc2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C28H33N7O2.C26H29N5O2.C25H25N7O2.C25H28N6O3/c1-19-32-28(2,3)18-34(19)9-10-35(22-11-23(36-5)14-24(12-22)37-6)21-7-8-25-26(13-21)31-27(16-29-25)20-15-30-33(4)17-20;1-4-33-17-19-9-22(11-23(10-19)32-3)31(15-18-5-6-18)21-7-8-24-25(12-21)29-26(14-27-24)20-13-28-30(2)16-20;1-30-16-18(14-28-30)25-15-27-23-5-4-19(12-24(23)29-25)32(9-8-31-7-6-26-17-31)20-10-21(33-2)13-22(11-20)34-3;1-5-20(32)15-31(19-8-16(25(33)26-2)9-21(10-19)34-4)18-6-7-22-23(11-18)29-24(13-27-22)17-12-28-30(3)14-17/h7-8,11-17H,9-10,18H2,1-6H3;7-14,16,18H,4-6,15,17H2,1-3H3;4-7,10-17H,8-9H2,1-3H3;6-14,20,32H,5,15H2,1-4H3,(H,26,33)
InChIKeyMIKMGLFJFLXHGL-UHFFFAOYSA-N
MW1859.23 g/mol
LogP17.21
Rot. Bonds33

About N-(cyclopropylmethyl)-N-[3-(ethoxymethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-(2-imidazol-1-ylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(2,5,5-trimethyl-4H-imidazol-3-yl)ethyl]quinoxalin-6-amine;3-[2-hydroxybutyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide

N-(cyclopropylmethyl)-N-[3-(ethoxymethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-(2-imidazol-1-ylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(2,5,5-trimethyl-4H-imidazol-3-yl)ethyl]quinoxalin-6-amine;3-[2-hydroxybutyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide (PubChem CID 159576031) has the molecular formula C104H115N25O9 and a molecular weight of 1859.23 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[3-(ethoxymethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-(2-imidazol-1-ylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(2,5,5-trimethyl-4H-imidazol-3-yl)ethyl]quinoxalin-6-amine;3-[2-hydroxybutyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[3-(ethoxymethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-(2-imidazol-1-ylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(2,5,5-trimethyl-4H-imidazol-3-yl)ethyl]quinoxalin-6-amine;3-[2-hydroxybutyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide
PubChem CID159576031
Molecular FormulaC104H115N25O9
Molecular Weight1859.23 g/mol
Exact Mass1857.93
IUPAC NameN-(cyclopropylmethyl)-N-[3-(ethoxymethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-(2-imidazol-1-ylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(2,5,5-trimethyl-4H-imidazol-3-yl)ethyl]quinoxalin-6-amine;3-[2-hydroxybutyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide
SMILESCCC(O)CN(c1cc(OC)cc(C(=O)NC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.CCOCc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CC(C)(C)N=C2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCn2ccnc2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C28H33N7O2.C26H29N5O2.C25H25N7O2.C25H28N6O3/c1-19-32-28(2,3)18-34(19)9-10-35(22-11-23(36-5)14-24(12-22)37-6)21-7-8-25-26(13-21)31-27(16-29-25)20-15-30-33(4)17-20;1-4-33-17-19-9-22(11-23(10-19)32-3)31(15-18-5-6-18)21-7-8-24-25(12-21)29-26(14-27-24)20-13-28-30(2)16-20;1-30-16-18(14-28-30)25-15-27-23-5-4-19(12-24(23)29-25)32(9-8-31-7-6-26-17-31)20-10-21(33-2)13-22(11-20)34-3;1-5-20(32)15-31(19-8-16(25(33)26-2)9-21(10-19)34-4)18-6-7-22-23(11-18)29-24(13-27-22)17-12-28-30(3)14-17/h7-8,11-17H,9-10,18H2,1-6H3;7-14,16,18H,4-6,15,17H2,1-3H3;4-7,10-17H,8-9H2,1-3H3;6-14,20,32H,5,15H2,1-4H3,(H,26,33)
InChIKeyMIKMGLFJFLXHGL-UHFFFAOYSA-N
XLogP17.21
TPSA334.72 Ų
H-Bond Donors2
H-Bond Acceptors33
Rotatable Bonds33
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001859.23
LogP ≤ 517.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1033

Analyze N-(cyclopropylmethyl)-N-[3-(ethoxymethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-(2-imidazol-1-ylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(2,5,5-trimethyl-4H-imidazol-3-yl)ethyl]quinoxalin-6-amine;3-[2-hydroxybutyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[3-(ethoxymethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-(2-imidazol-1-ylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(2,5,5-trimethyl-4H-imidazol-3-yl)ethyl]quinoxalin-6-amine;3-[2-hydroxybutyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[3-(ethoxymethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-(2-imidazol-1-ylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(2,5,5-trimethyl-4H-imidazol-3-yl)ethyl]quinoxalin-6-amine;3-[2-hydroxybutyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide (CID 159576031) is N-(cyclopropylmethyl)-N-[3-(ethoxymethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-(2-imidazol-1-ylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(2,5,5-trimethyl-4H-imidazol-3-yl)ethyl]quinoxalin-6-amine;3-[2-hydroxybutyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[3-(ethoxymethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-(2-imidazol-1-ylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(2,5,5-trimethyl-4H-imidazol-3-yl)ethyl]quinoxalin-6-amine;3-[2-hydroxybutyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[3-(ethoxymethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-(2-imidazol-1-ylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(2,5,5-trimethyl-4H-imidazol-3-yl)ethyl]quinoxalin-6-amine;3-[2-hydroxybutyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide is CCC(O)CN(c1cc(OC)cc(C(=O)NC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.CCOCc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CC(C)(C)N=C2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCn2ccnc2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[3-(ethoxymethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-(2-imidazol-1-ylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(2,5,5-trimethyl-4H-imidazol-3-yl)ethyl]quinoxalin-6-amine;3-[2-hydroxybutyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide?
The InChIKey is MIKMGLFJFLXHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O2.C26H29N5O2.C25H25N7O2.C25H28N6O3/c1-19-32-28(2,3)18-34(19)9-10-35(22-11-23(36-5)14-24(12-22)37-6)21-7-8-25-26(13-21)31-27(16-29-25)20-15-30-33(4)17-20;1-4-33-17-19-9-22(11-23(10-19)32-3)31(15-18-5-6-18)21-7-8-24-25(12-21)29-26(14-27-24)20-13-28-30(2)16-20;1-30-16-18(14-28-30)25-15-27-23-5-4-19(12-24(23)29-25)32(9-8-31-7-6-26-17-31)20-10-21(33-2)13-22(11-20)34-3;1-5-20(32)15-31(19-8-16(25(33)26-2)9-21(10-19)34-4)18-6-7-22-23(11-18)29-24(13-27-22)17-12-28-30(3)14-17/h7-8,11-17H,9-10,18H2,1-6H3;7-14,16,18H,4-6,15,17H2,1-3H3;4-7,10-17H,8-9H2,1-3H3;6-14,20,32H,5,15H2,1-4H3,(H,26,33).
What are the key properties of N-(cyclopropylmethyl)-N-[3-(ethoxymethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-(2-imidazol-1-ylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(2,5,5-trimethyl-4H-imidazol-3-yl)ethyl]quinoxalin-6-amine;3-[2-hydroxybutyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide?
N-(cyclopropylmethyl)-N-[3-(ethoxymethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-(2-imidazol-1-ylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(2,5,5-trimethyl-4H-imidazol-3-yl)ethyl]quinoxalin-6-amine;3-[2-hydroxybutyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide has a molecular weight of 1859.23 g/mol, XLogP of 17.21, 33 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[3-(ethoxymethyl)-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-(2-imidazol-1-ylethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(2,5,5-trimethyl-4H-imidazol-3-yl)ethyl]quinoxalin-6-amine;3-[2-hydroxybutyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 159576031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).