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

C25H22ClN5O — CID 137430474

IUPACN-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclopentanecarboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)C1CCCC1
InChIInChI=1S/C25H22ClN5O/c26-19-14-18(13-17-11-6-12-28-20(17)19)22-21(15-7-2-1-3-8-15)29-23(27)24(30-22)31-25(32)16-9-4-5-10-16/h1-3,6-8,11-14,16H,4-5,9-10H2,(H2,27,29)(H,30,31,32)
InChIKeyGAABZUDJEMBMSP-UHFFFAOYSA-N
MW443.94 g/mol
LogP5.72
Rot. Bonds4

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

N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclopentanecarboxamide (PubChem CID 137430474) has the molecular formula C25H22ClN5O and a molecular weight of 443.94 g/mol. Its IUPAC name is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclopentanecarboxamide
PubChem CID137430474
Molecular FormulaC25H22ClN5O
Molecular Weight443.94 g/mol
Exact Mass443.15
IUPAC NameN-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclopentanecarboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)C1CCCC1
InChIInChI=1S/C25H22ClN5O/c26-19-14-18(13-17-11-6-12-28-20(17)19)22-21(15-7-2-1-3-8-15)29-23(27)24(30-22)31-25(32)16-9-4-5-10-16/h1-3,6-8,11-14,16H,4-5,9-10H2,(H2,27,29)(H,30,31,32)
InChIKeyGAABZUDJEMBMSP-UHFFFAOYSA-N
XLogP5.72
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.94
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclopentanecarboxamide (CID 137430474) is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclopentanecarboxamide is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)C1CCCC1.
What is the InChIKey of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclopentanecarboxamide?
The InChIKey is GAABZUDJEMBMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O/c26-19-14-18(13-17-11-6-12-28-20(17)19)22-21(15-7-2-1-3-8-15)29-23(27)24(30-22)31-25(32)16-9-4-5-10-16/h1-3,6-8,11-14,16H,4-5,9-10H2,(H2,27,29)(H,30,31,32).
What are the key properties of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclopentanecarboxamide?
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclopentanecarboxamide has a molecular weight of 443.94 g/mol, XLogP of 5.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 137430474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).