cyclobutyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate

C24H19ClN4O2 — CID 137431024

IUPACcyclobutyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)OC1CCC1
InChIInChI=1S/C24H19ClN4O2/c25-18-13-16(12-15-8-5-11-27-19(15)18)21-20(14-6-2-1-3-7-14)29-23(26)22(28-21)24(30)31-17-9-4-10-17/h1-3,5-8,11-13,17H,4,9-10H2,(H2,26,29)
InChIKeyFIBLCDQWLFNFJZ-UHFFFAOYSA-N
MW430.90 g/mol
LogP5.30
Rot. Bonds4

About cyclobutyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate

cyclobutyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate (PubChem CID 137431024) has the molecular formula C24H19ClN4O2 and a molecular weight of 430.90 g/mol. Its IUPAC name is cyclobutyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate.

Molecular Properties

Compound Namecyclobutyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
PubChem CID137431024
Molecular FormulaC24H19ClN4O2
Molecular Weight430.90 g/mol
Exact Mass430.12
IUPAC Namecyclobutyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)OC1CCC1
InChIInChI=1S/C24H19ClN4O2/c25-18-13-16(12-15-8-5-11-27-19(15)18)21-20(14-6-2-1-3-7-14)29-23(26)22(28-21)24(30)31-17-9-4-10-17/h1-3,5-8,11-13,17H,4,9-10H2,(H2,26,29)
InChIKeyFIBLCDQWLFNFJZ-UHFFFAOYSA-N
XLogP5.30
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.90
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-cyclohexylmethanone
CID 137430795
3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide
CID 137430775
pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137430557
(1-methyl-2-oxopyrrolidin-3-yl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137431578
3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-phenylpyrazine-2-carboxamide
CID 137430443
5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine
CID 137431685
5-(8-chloroquinolin-6-yl)-3-cyclohexyl-6-phenylpyrazin-2-amine
CID 137431688
(4-methoxycarbonylphenyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 137431575
[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-morpholin-3-ylmethanone
CID 137430801
5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine
CID 137430407
3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 137430748
3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenylpyrazine-2-carboxamide
CID 137431697

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate?
The IUPAC name of cyclobutyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate (CID 137431024) is cyclobutyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate.
What is the SMILES notation for cyclobutyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate?
The canonical SMILES for cyclobutyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)OC1CCC1.
What is the InChIKey of cyclobutyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate?
The InChIKey is FIBLCDQWLFNFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O2/c25-18-13-16(12-15-8-5-11-27-19(15)18)21-20(14-6-2-1-3-7-14)29-23(26)22(28-21)24(30)31-17-9-4-10-17/h1-3,5-8,11-13,17H,4,9-10H2,(H2,26,29).
What are the key properties of cyclobutyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate?
cyclobutyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate has a molecular weight of 430.90 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate is sourced from PubChem (CID 137431024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).