3-amino-6-(8-chloroquinolin-6-yl)-5-phenyl-N-[1-(6-propyl-2-pyridinyl)ethyl]pyrazine-2-carboxamide

C30H27ClN6O — CID 154656347

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-5-phenyl-N-[1-(6-propyl-2-pyridinyl)ethyl]pyrazine-2-carboxamide
SMILESCCCc1cccc(C(C)NC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)n1
InChIInChI=1S/C30H27ClN6O/c1-3-9-22-13-7-14-24(35-22)18(2)34-30(38)28-29(32)37-26(19-10-5-4-6-11-19)27(36-28)21-16-20-12-8-15-33-25(20)23(31)17-21/h4-8,10-18H,3,9H2,1-2H3,(H2,32,37)(H,34,38)
InChIKeySOLXOBZOVCNKBJ-UHFFFAOYSA-N
MW523.04 g/mol
LogP6.43
Rot. Bonds7

About 3-amino-6-(8-chloroquinolin-6-yl)-5-phenyl-N-[1-(6-propyl-2-pyridinyl)ethyl]pyrazine-2-carboxamide

3-amino-6-(8-chloroquinolin-6-yl)-5-phenyl-N-[1-(6-propyl-2-pyridinyl)ethyl]pyrazine-2-carboxamide (PubChem CID 154656347) has the molecular formula C30H27ClN6O and a molecular weight of 523.04 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-5-phenyl-N-[1-(6-propyl-2-pyridinyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-5-phenyl-N-[1-(6-propyl-2-pyridinyl)ethyl]pyrazine-2-carboxamide
PubChem CID154656347
Molecular FormulaC30H27ClN6O
Molecular Weight523.04 g/mol
Exact Mass522.19
IUPAC Name3-amino-6-(8-chloroquinolin-6-yl)-5-phenyl-N-[1-(6-propyl-2-pyridinyl)ethyl]pyrazine-2-carboxamide
SMILESCCCc1cccc(C(C)NC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)n1
InChIInChI=1S/C30H27ClN6O/c1-3-9-22-13-7-14-24(35-22)18(2)34-30(38)28-29(32)37-26(19-10-5-4-6-11-19)27(36-28)21-16-20-12-8-15-33-25(20)23(31)17-21/h4-8,10-18H,3,9H2,1-2H3,(H2,32,37)(H,34,38)
InChIKeySOLXOBZOVCNKBJ-UHFFFAOYSA-N
XLogP6.43
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.04
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide
CID 57392126
US10981893, Example 22
CID 124173195
N-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide
CID 129103576
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-fluorophenyl)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
CID 154996395
N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclohexylpyrazine-2-carboxamide
CID 1459737
Pyrazine-2-carboxylic acid (2-chloro-6-methyl-quinolin-3-ylmethyl)-cyclohexyl-amide
CID 1459794
5-(2-chloroanilino)-N-ethylbenzo[c][2,6]naphthyridine-7-carboxamide
CID 57392127
5-(2-chloroanilino)-N-propan-2-ylbenzo[c][2,6]naphthyridine-7-carboxamide
CID 57393893
5-(2-chloroanilino)-N-(2-methylpropyl)benzo[c][2,6]naphthyridine-7-carboxamide
CID 57395624
N-[(1R)-1-[4-[(8-chloro-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide
CID 71583602
3-amino-6-(3-chloro-5-methylphenyl)-N-pentan-3-ylpyrazine-2-carboxamide
CID 122185590
N-((6-Amino-4-chloro-2-methylpyridin-3-yl)methyl)-1-((2-methylquinolin-6-yl)methyl)-1H-1,2,3-triazole-4-carboxamide
CID 56836060

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-phenyl-N-[1-(6-propyl-2-pyridinyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-phenyl-N-[1-(6-propyl-2-pyridinyl)ethyl]pyrazine-2-carboxamide (CID 154656347) is 3-amino-6-(8-chloroquinolin-6-yl)-5-phenyl-N-[1-(6-propyl-2-pyridinyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-5-phenyl-N-[1-(6-propyl-2-pyridinyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-5-phenyl-N-[1-(6-propyl-2-pyridinyl)ethyl]pyrazine-2-carboxamide is CCCc1cccc(C(C)NC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)n1.
What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-5-phenyl-N-[1-(6-propyl-2-pyridinyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is SOLXOBZOVCNKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27ClN6O/c1-3-9-22-13-7-14-24(35-22)18(2)34-30(38)28-29(32)37-26(19-10-5-4-6-11-19)27(36-28)21-16-20-12-8-15-33-25(20)23(31)17-21/h4-8,10-18H,3,9H2,1-2H3,(H2,32,37)(H,34,38).
What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-5-phenyl-N-[1-(6-propyl-2-pyridinyl)ethyl]pyrazine-2-carboxamide?
3-amino-6-(8-chloroquinolin-6-yl)-5-phenyl-N-[1-(6-propyl-2-pyridinyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 523.04 g/mol, XLogP of 6.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(8-chloroquinolin-6-yl)-5-phenyl-N-[1-(6-propyl-2-pyridinyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 154656347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).