4-chloro-N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide

C15H12ClN3O — CID 47469164

IUPAC4-chloro-N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1cccc2cccnc12)c1cc(Cl)c[nH]1
InChIInChI=1S/C15H12ClN3O/c16-12-7-13(18-9-12)15(20)19-8-11-4-1-3-10-5-2-6-17-14(10)11/h1-7,9,18H,8H2,(H,19,20)
InChIKeyKXIHGLISVWUSTA-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.15
Rot. Bonds3

About 4-chloro-N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide

4-chloro-N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 47469164) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 4-chloro-N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID47469164
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name4-chloro-N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1cccc2cccnc12)c1cc(Cl)c[nH]1
InChIInChI=1S/C15H12ClN3O/c16-12-7-13(18-9-12)15(20)19-8-11-4-1-3-10-5-2-6-17-14(10)11/h1-7,9,18H,8H2,(H,19,20)
InChIKeyKXIHGLISVWUSTA-UHFFFAOYSA-N
XLogP3.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide
CID 110470876
4-chloro-N-[(2-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 115598815
N-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide
CID 51307001
2-fluoro-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 107358803
2-bromo-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 103754998
2-bromo-N-(quinolin-8-ylmethyl)pyridine-4-carboxamide
CID 103754997
N-(quinolin-8-ylmethyl)-2-sulfanylacetamide
CID 81423056
2-hydrazinyl-2-oxo-N-(quinolin-8-ylmethyl)acetamide
CID 69377520
2-(methylamino)-N-(quinolin-8-ylmethyl)acetamide
CID 81427166
N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide
CID 115598832
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
2-methoxy-N-(quinolin-8-ylmethyl)acetamide
CID 47468683

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide (CID 47469164) is 4-chloro-N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide is O=C(NCc1cccc2cccnc12)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is KXIHGLISVWUSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-12-7-13(18-9-12)15(20)19-8-11-4-1-3-10-5-2-6-17-14(10)11/h1-7,9,18H,8H2,(H,19,20).
What are the key properties of 4-chloro-N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide?
4-chloro-N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 285.73 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47469164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).