N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine

C21H18ClN7 — CID 121486443

IUPACN-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine
SMILESCc1cccc2nc(CNc3ncnc4c3NCN4)c(-c3ccccc3Cl)nc12
InChIInChI=1S/C21H18ClN7/c1-12-5-4-8-15-17(12)29-18(13-6-2-3-7-14(13)22)16(28-15)9-23-20-19-21(25-10-24-19)27-11-26-20/h2-8,11,24H,9-10H2,1H3,(H2,23,25,26,27)
InChIKeyPKIBNUIXLFBNAT-UHFFFAOYSA-N
MW403.88 g/mol
LogP4.46
Rot. Bonds4

About N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine

N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine (PubChem CID 121486443) has the molecular formula C21H18ClN7 and a molecular weight of 403.88 g/mol. Its IUPAC name is N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine.

Molecular Properties

Compound NameN-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine
PubChem CID121486443
Molecular FormulaC21H18ClN7
Molecular Weight403.88 g/mol
Exact Mass403.13
IUPAC NameN-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine
SMILESCc1cccc2nc(CNc3ncnc4c3NCN4)c(-c3ccccc3Cl)nc12
InChIInChI=1S/C21H18ClN7/c1-12-5-4-8-15-17(12)29-18(13-6-2-3-7-14(13)22)16(28-15)9-23-20-19-21(25-10-24-19)27-11-26-20/h2-8,11,24H,9-10H2,1H3,(H2,23,25,26,27)
InChIKeyPKIBNUIXLFBNAT-UHFFFAOYSA-N
XLogP4.46
TPSA87.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.88
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine 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

N-[[3-(2-chlorophenyl)-5-fluoroquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine
CID 121486449
N-[[3-(2-chlorophenyl)-8-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine
CID 25071910
2-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]isoindole-1,3-dione;ethane
CID 145483294
5-chloro-3-(2-chlorophenyl)-N-methylquinoxalin-2-amine
CID 174610026
4-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 25070006
2-(2-chlorophenyl)-3-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl]-8-methylquinoline
CID 86626622
2-chloro-5-methyl-3-phenylquinoxaline
CID 86730310
N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-3-methoxyaniline
CID 66800089
5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 105369414
6-N-[(2-chlorophenyl)methyl]-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19152879
N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-3,4-dimethoxyaniline
CID 66800170
2-N-[1-[2-(2-chlorophenyl)-8-methylquinolin-3-yl]ethyl]-5-methylpyrimidine-2,4-diamine
CID 58506809

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine?
The IUPAC name of N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine (CID 121486443) is N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine.
What is the SMILES notation for N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine?
The canonical SMILES for N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine is Cc1cccc2nc(CNc3ncnc4c3NCN4)c(-c3ccccc3Cl)nc12.
What is the InChIKey of N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine?
The InChIKey is PKIBNUIXLFBNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN7/c1-12-5-4-8-15-17(12)29-18(13-6-2-3-7-14(13)22)16(28-15)9-23-20-19-21(25-10-24-19)27-11-26-20/h2-8,11,24H,9-10H2,1H3,(H2,23,25,26,27).
What are the key properties of N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine?
N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine has a molecular weight of 403.88 g/mol, XLogP of 4.46, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-8,9-dihydro-7H-purin-6-amine is sourced from PubChem (CID 121486443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).