1-[3-(furan-2-yl)butyl]-3-(8-methyl-4-oxo-1H-quinolin-3-yl)urea

C19H21N3O3 — CID 23607678

IUPAC1-[3-(furan-2-yl)butyl]-3-(8-methyl-4-oxo-1H-quinolin-3-yl)urea
SMILESCc1cccc2c(=O)c(NC(=O)NCCC(C)c3ccco3)c[nH]c12
InChIInChI=1S/C19H21N3O3/c1-12(16-7-4-10-25-16)8-9-20-19(24)22-15-11-21-17-13(2)5-3-6-14(17)18(15)23/h3-7,10-12H,8-9H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyUAIQVQKMVJQDEK-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.74
Rot. Bonds5

About 1-[3-(furan-2-yl)butyl]-3-(8-methyl-4-oxo-1H-quinolin-3-yl)urea

1-[3-(furan-2-yl)butyl]-3-(8-methyl-4-oxo-1H-quinolin-3-yl)urea (PubChem CID 23607678) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-[3-(furan-2-yl)butyl]-3-(8-methyl-4-oxo-1H-quinolin-3-yl)urea.

Molecular Properties

Compound Name1-[3-(furan-2-yl)butyl]-3-(8-methyl-4-oxo-1H-quinolin-3-yl)urea
PubChem CID23607678
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name1-[3-(furan-2-yl)butyl]-3-(8-methyl-4-oxo-1H-quinolin-3-yl)urea
SMILESCc1cccc2c(=O)c(NC(=O)NCCC(C)c3ccco3)c[nH]c12
InChIInChI=1S/C19H21N3O3/c1-12(16-7-4-10-25-16)8-9-20-19(24)22-15-11-21-17-13(2)5-3-6-14(17)18(15)23/h3-7,10-12H,8-9H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyUAIQVQKMVJQDEK-UHFFFAOYSA-N
XLogP3.74
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[3-(furan-2-yl)butyl]-3-(8-methyl-4-oxo-1H-quinolin-3-yl)urea with MolForge

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Related Compounds

N-(8-methyl-4-oxo-1H-quinolin-3-yl)pyrrolidine-1-carboxamide
CID 6484351
3-hydroxy-N-(8-methyl-4-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide
CID 6490336
1-(2,3-dimethylphenyl)-3-(3-methylbutyl)urea
CID 47192192
1-(8-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea
CID 6490425
1-(furan-2-yl)-3-(3-methylbutyl)urea
CID 108868602
1-(8-methoxy-4-oxo-1H-quinolin-3-yl)-3-[3-(4-methylpiperazin-1-yl)propyl]urea
CID 23609031
1-N-(8-methyl-4-oxo-1H-quinolin-3-yl)piperidine-1,4-dicarboxamide
CID 23607647
8-methyl-N-octan-2-yl-4-oxo-1H-quinoline-3-carboxamide
CID 166326762
tert-butyl 4-[(8-methyl-4-oxo-1H-quinolin-3-yl)carbamoyl]piperazine-1-carboxylate
CID 6490345
8-ethyl-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3217744
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 111506685
N'-(2,3-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 71787744

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-yl)butyl]-3-(8-methyl-4-oxo-1H-quinolin-3-yl)urea?
The IUPAC name of 1-[3-(furan-2-yl)butyl]-3-(8-methyl-4-oxo-1H-quinolin-3-yl)urea (CID 23607678) is 1-[3-(furan-2-yl)butyl]-3-(8-methyl-4-oxo-1H-quinolin-3-yl)urea.
What is the SMILES notation for 1-[3-(furan-2-yl)butyl]-3-(8-methyl-4-oxo-1H-quinolin-3-yl)urea?
The canonical SMILES for 1-[3-(furan-2-yl)butyl]-3-(8-methyl-4-oxo-1H-quinolin-3-yl)urea is Cc1cccc2c(=O)c(NC(=O)NCCC(C)c3ccco3)c[nH]c12.
What is the InChIKey of 1-[3-(furan-2-yl)butyl]-3-(8-methyl-4-oxo-1H-quinolin-3-yl)urea?
The InChIKey is UAIQVQKMVJQDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12(16-7-4-10-25-16)8-9-20-19(24)22-15-11-21-17-13(2)5-3-6-14(17)18(15)23/h3-7,10-12H,8-9H2,1-2H3,(H,21,23)(H2,20,22,24).
What are the key properties of 1-[3-(furan-2-yl)butyl]-3-(8-methyl-4-oxo-1H-quinolin-3-yl)urea?
1-[3-(furan-2-yl)butyl]-3-(8-methyl-4-oxo-1H-quinolin-3-yl)urea has a molecular weight of 339.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-yl)butyl]-3-(8-methyl-4-oxo-1H-quinolin-3-yl)urea is sourced from PubChem (CID 23607678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).