2-phenyl-2-pyrrol-1-yl-N-quinolin-5-ylacetamide

C21H17N3O — CID 52992860

IUPAC2-phenyl-2-pyrrol-1-yl-N-quinolin-5-ylacetamide
SMILESO=C(Nc1cccc2ncccc12)C(c1ccccc1)n1cccc1
InChIInChI=1S/C21H17N3O/c25-21(23-19-12-6-11-18-17(19)10-7-13-22-18)20(24-14-4-5-15-24)16-8-2-1-3-9-16/h1-15,20H,(H,23,25)
InChIKeyKHKBLUYRDUOXCN-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.26
Rot. Bonds4

About 2-phenyl-2-pyrrol-1-yl-N-quinolin-5-ylacetamide

2-phenyl-2-pyrrol-1-yl-N-quinolin-5-ylacetamide (PubChem CID 52992860) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-phenyl-2-pyrrol-1-yl-N-quinolin-5-ylacetamide.

Molecular Properties

Compound Name2-phenyl-2-pyrrol-1-yl-N-quinolin-5-ylacetamide
PubChem CID52992860
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name2-phenyl-2-pyrrol-1-yl-N-quinolin-5-ylacetamide
SMILESO=C(Nc1cccc2ncccc12)C(c1ccccc1)n1cccc1
InChIInChI=1S/C21H17N3O/c25-21(23-19-12-6-11-18-17(19)10-7-13-22-18)20(24-14-4-5-15-24)16-8-2-1-3-9-16/h1-15,20H,(H,23,25)
InChIKeyKHKBLUYRDUOXCN-UHFFFAOYSA-N
XLogP4.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfanyl-2-pyrrol-1-yl-N-quinolin-5-ylbutanamide
CID 121240187
N-(2-chlorophenyl)-2-phenyl-2-pyrrol-1-ylacetamide
CID 52992841
2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid
CID 103496081
2-bromo-N-quinolin-5-ylpropanamide
CID 107902854
2-(benzhydrylamino)-N-quinolin-5-ylacetamide
CID 42126505
2-phenoxy-N-quinolin-5-ylpropanamide
CID 18076800
2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide
CID 52992847
2-methylsulfanyl-N-quinolin-5-ylpropanamide
CID 47188211
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide
CID 34854474
2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide
CID 42944877
3-methyl-2-phenyl-N'-quinolin-5-ylbutanehydrazide
CID 11955683

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-pyrrol-1-yl-N-quinolin-5-ylacetamide?
The IUPAC name of 2-phenyl-2-pyrrol-1-yl-N-quinolin-5-ylacetamide (CID 52992860) is 2-phenyl-2-pyrrol-1-yl-N-quinolin-5-ylacetamide.
What is the SMILES notation for 2-phenyl-2-pyrrol-1-yl-N-quinolin-5-ylacetamide?
The canonical SMILES for 2-phenyl-2-pyrrol-1-yl-N-quinolin-5-ylacetamide is O=C(Nc1cccc2ncccc12)C(c1ccccc1)n1cccc1.
What is the InChIKey of 2-phenyl-2-pyrrol-1-yl-N-quinolin-5-ylacetamide?
The InChIKey is KHKBLUYRDUOXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c25-21(23-19-12-6-11-18-17(19)10-7-13-22-18)20(24-14-4-5-15-24)16-8-2-1-3-9-16/h1-15,20H,(H,23,25).
What are the key properties of 2-phenyl-2-pyrrol-1-yl-N-quinolin-5-ylacetamide?
2-phenyl-2-pyrrol-1-yl-N-quinolin-5-ylacetamide has a molecular weight of 327.39 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-pyrrol-1-yl-N-quinolin-5-ylacetamide is sourced from PubChem (CID 52992860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).