[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone

C26H23ClN4O — CID 137430795

IUPAC[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)C1CCCCC1
InChIInChI=1S/C26H23ClN4O/c27-20-15-19(14-18-12-7-13-29-21(18)20)23-22(16-8-3-1-4-9-16)31-26(28)24(30-23)25(32)17-10-5-2-6-11-17/h1,3-4,7-9,12-15,17H,2,5-6,10-11H2,(H2,28,31)
InChIKeyJKWDBYUHCZEXBE-UHFFFAOYSA-N
MW442.95 g/mol
LogP6.36
Rot. Bonds4

About [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone

[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone (PubChem CID 137430795) has the molecular formula C26H23ClN4O and a molecular weight of 442.95 g/mol. Its IUPAC name is [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone
PubChem CID137430795
Molecular FormulaC26H23ClN4O
Molecular Weight442.95 g/mol
Exact Mass442.16
IUPAC Name[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)C1CCCCC1
InChIInChI=1S/C26H23ClN4O/c27-20-15-19(14-18-12-7-13-29-21(18)20)23-22(16-8-3-1-4-9-16)31-26(28)24(30-23)25(32)17-10-5-2-6-11-17/h1,3-4,7-9,12-15,17H,2,5-6,10-11H2,(H2,28,31)
InChIKeyJKWDBYUHCZEXBE-UHFFFAOYSA-N
XLogP6.36
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.95
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide
CID 137430775
cyclobutyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137431024
5-(8-chloroquinolin-6-yl)-3-cyclohexyl-6-phenylpyrazin-2-amine
CID 137431688
[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone
CID 137430801
5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine
CID 137431685
pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137430557
3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide
CID 137430443
(1-methyl-2-oxopyrrolidin-3-yl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137431578
(4-methoxycarbonylphenyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137431575
5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine
CID 137430407
3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenylpyrazine-2-carboxamide
CID 137431697
1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]azetidin-3-ol
CID 137430245

Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone?
The IUPAC name of [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone (CID 137430795) is [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone.
What is the SMILES notation for [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone?
The canonical SMILES for [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)C1CCCCC1.
What is the InChIKey of [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone?
The InChIKey is JKWDBYUHCZEXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O/c27-20-15-19(14-18-12-7-13-29-21(18)20)23-22(16-8-3-1-4-9-16)31-26(28)24(30-23)25(32)17-10-5-2-6-11-17/h1,3-4,7-9,12-15,17H,2,5-6,10-11H2,(H2,28,31).
What are the key properties of [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone?
[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone has a molecular weight of 442.95 g/mol, XLogP of 6.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone is sourced from PubChem (CID 137430795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).