8-chloro-N-cyclopropyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinolin-2-amine

C19H18ClN7 — CID 66821892

IUPAC8-chloro-N-cyclopropyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinolin-2-amine
SMILESC[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2nc1NC1CC1
InChIInChI=1S/C19H18ClN7/c1-10(25-19-16-18(22-8-21-16)23-9-24-19)13-7-11-3-2-4-14(20)15(11)27-17(13)26-12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,26,27)(H2,21,22,23,24,25)/t10-/m0/s1
InChIKeyTYHKQBYBJGKPDS-JTQLQIEISA-N
MW379.86 g/mol
LogP4.30
Rot. Bonds5

About 8-chloro-N-cyclopropyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinolin-2-amine

8-chloro-N-cyclopropyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinolin-2-amine (PubChem CID 66821892) has the molecular formula C19H18ClN7 and a molecular weight of 379.86 g/mol. Its IUPAC name is 8-chloro-N-cyclopropyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinolin-2-amine.

Molecular Properties

Compound Name8-chloro-N-cyclopropyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinolin-2-amine
PubChem CID66821892
Molecular FormulaC19H18ClN7
Molecular Weight379.86 g/mol
Exact Mass379.13
IUPAC Name8-chloro-N-cyclopropyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinolin-2-amine
SMILESC[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2nc1NC1CC1
InChIInChI=1S/C19H18ClN7/c1-10(25-19-16-18(22-8-21-16)23-9-24-19)13-7-11-3-2-4-14(20)15(11)27-17(13)26-12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,26,27)(H2,21,22,23,24,25)/t10-/m0/s1
InChIKeyTYHKQBYBJGKPDS-JTQLQIEISA-N
XLogP4.30
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.86
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 8-chloro-N-cyclopropyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinolin-2-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

2-[[8-chloro-3-[1-(7H-purin-6-ylamino)ethyl]quinolin-2-yl]amino]acetic acid
CID 66821996
8-chloro-N-[(1-oxidopyridin-1-ium-2-yl)methyl]-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinolin-2-amine
CID 46870963
8-chloro-N-(2-methoxyethyl)-N-methyl-3-[1-(7H-purin-6-ylamino)ethyl]quinolin-2-amine
CID 66822497
N-[1-[2-(3-chloro-5-fluorophenyl)-8-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine
CID 76599383
5-[[[3-[(1S)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-8-chloroquinolin-2-yl]amino]methyl]pyrrolidin-2-one
CID 66822136
N-[(1S)-1-(2,8-dipyridin-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine
CID 68944487
N-[1-(8-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine
CID 76599339
N-[(1S)-1-(5-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)ethyl]-7H-purin-6-amine
CID 71142696
1-[4-[[3-[1-[(4-amino-1,3,5-triazin-2-yl)amino]ethyl]-8-chloroquinolin-2-yl]amino]piperidin-1-yl]ethanone
CID 66822101
N-[1-(8-chloro-1-morpholin-4-ylisoquinolin-3-yl)ethyl]-7H-purin-6-amine
CID 78032857
N-[1-[5-chloro-8-(3-methoxypyrrolidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine
CID 53251192
N-[1-[8-chloro-1-(morpholin-4-ylmethyl)isoquinolin-3-yl]ethyl]-7H-purin-6-amine
CID 76512557

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-cyclopropyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinolin-2-amine?
The IUPAC name of 8-chloro-N-cyclopropyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinolin-2-amine (CID 66821892) is 8-chloro-N-cyclopropyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinolin-2-amine.
What is the SMILES notation for 8-chloro-N-cyclopropyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinolin-2-amine?
The canonical SMILES for 8-chloro-N-cyclopropyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinolin-2-amine is C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2nc1NC1CC1.
What is the InChIKey of 8-chloro-N-cyclopropyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinolin-2-amine?
The InChIKey is TYHKQBYBJGKPDS-JTQLQIEISA-N. The full InChI is InChI=1S/C19H18ClN7/c1-10(25-19-16-18(22-8-21-16)23-9-24-19)13-7-11-3-2-4-14(20)15(11)27-17(13)26-12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,26,27)(H2,21,22,23,24,25)/t10-/m0/s1.
What are the key properties of 8-chloro-N-cyclopropyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinolin-2-amine?
8-chloro-N-cyclopropyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinolin-2-amine has a molecular weight of 379.86 g/mol, XLogP of 4.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-cyclopropyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinolin-2-amine is sourced from PubChem (CID 66821892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).