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

C23H18ClN5O — CID 137430478

IUPACN-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)C1CC1
InChIInChI=1S/C23H18ClN5O/c24-17-12-16(11-15-7-4-10-26-18(15)17)20-19(13-5-2-1-3-6-13)27-21(25)22(28-20)29-23(30)14-8-9-14/h1-7,10-12,14H,8-9H2,(H2,25,27)(H,28,29,30)
InChIKeyAOFVRTPLHCPPJZ-UHFFFAOYSA-N
MW415.88 g/mol
LogP4.94
Rot. Bonds4

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

N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide (PubChem CID 137430478) has the molecular formula C23H18ClN5O and a molecular weight of 415.88 g/mol. Its IUPAC name is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide
PubChem CID137430478
Molecular FormulaC23H18ClN5O
Molecular Weight415.88 g/mol
Exact Mass415.12
IUPAC NameN-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)C1CC1
InChIInChI=1S/C23H18ClN5O/c24-17-12-16(11-15-7-4-10-26-18(15)17)20-19(13-5-2-1-3-6-13)27-21(25)22(28-20)29-23(30)14-8-9-14/h1-7,10-12,14H,8-9H2,(H2,25,27)(H,28,29,30)
InChIKeyAOFVRTPLHCPPJZ-UHFFFAOYSA-N
XLogP4.94
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 54.94
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]cyclopropanecarboxamide?
The IUPAC name of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide (CID 137430478) is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)C1CC1.
What is the InChIKey of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide?
The InChIKey is AOFVRTPLHCPPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O/c24-17-12-16(11-15-7-4-10-26-18(15)17)20-19(13-5-2-1-3-6-13)27-21(25)22(28-20)29-23(30)14-8-9-14/h1-7,10-12,14H,8-9H2,(H2,25,27)(H,28,29,30).
What are the key properties of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide?
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]cyclopropanecarboxamide has a molecular weight of 415.88 g/mol, XLogP of 4.94, 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]cyclopropanecarboxamide is sourced from PubChem (CID 137430478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).