7-anilino-N-(2-oxoethyl)quinoline-4-carboxamide

C18H15N3O2 — CID 138723428

IUPAC7-anilino-N-(2-oxoethyl)quinoline-4-carboxamide
SMILESO=CCNC(=O)c1ccnc2cc(Nc3ccccc3)ccc12
InChIInChI=1S/C18H15N3O2/c22-11-10-20-18(23)16-8-9-19-17-12-14(6-7-15(16)17)21-13-4-2-1-3-5-13/h1-9,11-12,21H,10H2,(H,20,23)
InChIKeyLILVLGHYLULSAM-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.91
Rot. Bonds5

About 7-anilino-N-(2-oxoethyl)quinoline-4-carboxamide

7-anilino-N-(2-oxoethyl)quinoline-4-carboxamide (PubChem CID 138723428) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 7-anilino-N-(2-oxoethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name7-anilino-N-(2-oxoethyl)quinoline-4-carboxamide
PubChem CID138723428
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name7-anilino-N-(2-oxoethyl)quinoline-4-carboxamide
SMILESO=CCNC(=O)c1ccnc2cc(Nc3ccccc3)ccc12
InChIInChI=1S/C18H15N3O2/c22-11-10-20-18(23)16-8-9-19-17-12-14(6-7-15(16)17)21-13-4-2-1-3-5-13/h1-9,11-12,21H,10H2,(H,20,23)
InChIKeyLILVLGHYLULSAM-UHFFFAOYSA-N
XLogP2.91
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2-oxoethyl)quinoline-4-carboxamide
CID 138723013
7-anilino-N-[2-(3,3-difluoropyrrolidin-1-yl)prop-2-enyl]quinoline-4-carboxamide
CID 167136293
6-[3-(methylamino)propoxy]-N-(2-oxoethyl)quinoline-4-carboxamide
CID 165399845
7-fluoro-N-(2-oxoethyl)quinoline-4-carboxamide;1-methylpyrrolidine-2-carbonitrile
CID 165399848
1-[(quinoline-4-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449424
3-methoxy-4-(quinoline-4-carbonylamino)butanoic acid
CID 103152989
N-phenyl-4-(quinolin-4-ylamino)benzamide
CID 58472461
N-(2-bromobutyl)quinoline-4-carboxamide
CID 113492901
N-[(3-hydroxyphenyl)methyl]quinoline-4-carboxamide
CID 112733916
N-(3-iodopropyl)quinoline-4-carboxamide
CID 114504474
2-[[7-(2-oxo-2-phenylmethoxyethoxy)quinoline-4-carbonyl]amino]acetic acid
CID 170747979
N-[2-(benzenesulfonyl)ethyl]quinoline-4-carboxamide
CID 60515386

Frequently Asked Questions

What is the IUPAC name of 7-anilino-N-(2-oxoethyl)quinoline-4-carboxamide?
The IUPAC name of 7-anilino-N-(2-oxoethyl)quinoline-4-carboxamide (CID 138723428) is 7-anilino-N-(2-oxoethyl)quinoline-4-carboxamide.
What is the SMILES notation for 7-anilino-N-(2-oxoethyl)quinoline-4-carboxamide?
The canonical SMILES for 7-anilino-N-(2-oxoethyl)quinoline-4-carboxamide is O=CCNC(=O)c1ccnc2cc(Nc3ccccc3)ccc12.
What is the InChIKey of 7-anilino-N-(2-oxoethyl)quinoline-4-carboxamide?
The InChIKey is LILVLGHYLULSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-11-10-20-18(23)16-8-9-19-17-12-14(6-7-15(16)17)21-13-4-2-1-3-5-13/h1-9,11-12,21H,10H2,(H,20,23).
What are the key properties of 7-anilino-N-(2-oxoethyl)quinoline-4-carboxamide?
7-anilino-N-(2-oxoethyl)quinoline-4-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-anilino-N-(2-oxoethyl)quinoline-4-carboxamide is sourced from PubChem (CID 138723428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).