N-[2-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine

C19H14ClN7S — CID 69043949

IUPACN-[2-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine
SMILESClc1cccc2cc(CCNc3ncnc4nc[nH]c34)c(-c3cscn3)nc12
InChIInChI=1S/C19H14ClN7S/c20-13-3-1-2-11-6-12(16(27-15(11)13)14-7-28-10-26-14)4-5-21-18-17-19(23-8-22-17)25-9-24-18/h1-3,6-10H,4-5H2,(H2,21,22,23,24,25)
InChIKeyJSCNXSATJQILNV-UHFFFAOYSA-N
MW407.89 g/mol
LogP4.33
Rot. Bonds5

About N-[2-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine

N-[2-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine (PubChem CID 69043949) has the molecular formula C19H14ClN7S and a molecular weight of 407.89 g/mol. Its IUPAC name is N-[2-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[2-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine
PubChem CID69043949
Molecular FormulaC19H14ClN7S
Molecular Weight407.89 g/mol
Exact Mass407.07
IUPAC NameN-[2-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine
SMILESClc1cccc2cc(CCNc3ncnc4nc[nH]c34)c(-c3cscn3)nc12
InChIInChI=1S/C19H14ClN7S/c20-13-3-1-2-11-6-12(16(27-15(11)13)14-7-28-10-26-14)4-5-21-18-17-19(23-8-22-17)25-9-24-18/h1-3,6-10H,4-5H2,(H2,21,22,23,24,25)
InChIKeyJSCNXSATJQILNV-UHFFFAOYSA-N
XLogP4.33
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.89
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[8-chloro-2-(1,3-thiazol-5-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine
CID 69041410
N-[2-[8-chloro-2-(2-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine
CID 69046602
N-[2-[5-chloro-2-methoxy-4-methyl-3-(1,3-thiazol-4-yl)phenyl]ethyl]-7H-purin-6-amine
CID 88540853
(8-chloro-2-phenylquinolin-3-yl)methanamine;N-[(8-chloro-2-phenylquinolin-3-yl)methyl]-7H-purin-6-amine
CID 159074469
N'-amino-2-[8-chloro-3-[(7H-purin-6-ylamino)methyl]quinolin-2-yl]benzenecarboximidamide
CID 145483334
N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine
CID 62314113
2-[[8-chloro-3-[1-(7H-purin-6-ylamino)ethyl]quinolin-2-yl]amino]acetic acid
CID 66821996
N-[(2-amino-6-chlorophenyl)methyl]-7H-purin-6-amine
CID 69242166
N-[2-[4-chloro-1-(3-fluorophenyl)indol-2-yl]ethyl]-7H-purin-6-amine
CID 123513783
N-[[8-fluoro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]-7H-purin-6-amine
CID 141225548
N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine
CID 49432029
N-[[8-fluoro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]-7H-purin-6-amine;dihydrochloride
CID 141225547

Frequently Asked Questions

What is the IUPAC name of N-[2-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine?
The IUPAC name of N-[2-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine (CID 69043949) is N-[2-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[2-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[2-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine is Clc1cccc2cc(CCNc3ncnc4nc[nH]c34)c(-c3cscn3)nc12.
What is the InChIKey of N-[2-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine?
The InChIKey is JSCNXSATJQILNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN7S/c20-13-3-1-2-11-6-12(16(27-15(11)13)14-7-28-10-26-14)4-5-21-18-17-19(23-8-22-17)25-9-24-18/h1-3,6-10H,4-5H2,(H2,21,22,23,24,25).
What are the key properties of N-[2-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine?
N-[2-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine has a molecular weight of 407.89 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine is sourced from PubChem (CID 69043949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).