N-[2-[(7,8-dimethylquinolin-5-yl)amino]-2-oxoethyl]furan-3-carboxamide

C18H17N3O3 — CID 75524289

IUPACN-[2-[(7,8-dimethylquinolin-5-yl)amino]-2-oxoethyl]furan-3-carboxamide
SMILESCc1cc(NC(=O)CNC(=O)c2ccoc2)c2cccnc2c1C
InChIInChI=1S/C18H17N3O3/c1-11-8-15(14-4-3-6-19-17(14)12(11)2)21-16(22)9-20-18(23)13-5-7-24-10-13/h3-8,10H,9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyMSZLDJWDEGSDBB-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.81
Rot. Bonds4

About N-[2-[(7,8-dimethylquinolin-5-yl)amino]-2-oxoethyl]furan-3-carboxamide

N-[2-[(7,8-dimethylquinolin-5-yl)amino]-2-oxoethyl]furan-3-carboxamide (PubChem CID 75524289) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[2-[(7,8-dimethylquinolin-5-yl)amino]-2-oxoethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(7,8-dimethylquinolin-5-yl)amino]-2-oxoethyl]furan-3-carboxamide
PubChem CID75524289
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[2-[(7,8-dimethylquinolin-5-yl)amino]-2-oxoethyl]furan-3-carboxamide
SMILESCc1cc(NC(=O)CNC(=O)c2ccoc2)c2cccnc2c1C
InChIInChI=1S/C18H17N3O3/c1-11-8-15(14-4-3-6-19-17(14)12(11)2)21-16(22)9-20-18(23)13-5-7-24-10-13/h3-8,10H,9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyMSZLDJWDEGSDBB-UHFFFAOYSA-N
XLogP2.81
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7,8-dimethylquinolin-5-yl)-2-pyrrolidin-1-ylacetamide
CID 155953753
N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]furan-3-carboxamide
CID 46450348
N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]furan-3-carboxamide
CID 55648350
N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide
CID 55647880
N-[2-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide
CID 46461803
N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-7,8-dimethylquinoline-5-carboxamide
CID 167789607
N-[2-oxo-2-(pentan-3-ylamino)ethyl]furan-3-carboxamide
CID 46431023
2-methoxyethyl N-[3-[[2-(furan-3-carbonylamino)acetyl]amino]phenyl]carbamate
CID 47934073
N-[2-(2,3-dimethylanilino)-2-oxoethyl]quinoline-8-carboxamide
CID 24681832
N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]furan-3-carboxamide
CID 38629741
N-[3-(2-fluoro-4-methylanilino)-3-oxopropyl]furan-3-carboxamide
CID 38741621
N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide
CID 51099324

Frequently Asked Questions

What is the IUPAC name of N-[2-[(7,8-dimethylquinolin-5-yl)amino]-2-oxoethyl]furan-3-carboxamide?
The IUPAC name of N-[2-[(7,8-dimethylquinolin-5-yl)amino]-2-oxoethyl]furan-3-carboxamide (CID 75524289) is N-[2-[(7,8-dimethylquinolin-5-yl)amino]-2-oxoethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-[(7,8-dimethylquinolin-5-yl)amino]-2-oxoethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-[(7,8-dimethylquinolin-5-yl)amino]-2-oxoethyl]furan-3-carboxamide is Cc1cc(NC(=O)CNC(=O)c2ccoc2)c2cccnc2c1C.
What is the InChIKey of N-[2-[(7,8-dimethylquinolin-5-yl)amino]-2-oxoethyl]furan-3-carboxamide?
The InChIKey is MSZLDJWDEGSDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11-8-15(14-4-3-6-19-17(14)12(11)2)21-16(22)9-20-18(23)13-5-7-24-10-13/h3-8,10H,9H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-[(7,8-dimethylquinolin-5-yl)amino]-2-oxoethyl]furan-3-carboxamide?
N-[2-[(7,8-dimethylquinolin-5-yl)amino]-2-oxoethyl]furan-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(7,8-dimethylquinolin-5-yl)amino]-2-oxoethyl]furan-3-carboxamide is sourced from PubChem (CID 75524289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).