1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2,4-dimethoxyphenyl)urea

C22H27N3O4 — CID 30376842

IUPAC1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2,4-dimethoxyphenyl)urea
SMILESCCCCN1C(=O)CCc2cc(NC(=O)Nc3ccc(OC)cc3OC)ccc21
InChIInChI=1S/C22H27N3O4/c1-4-5-12-25-19-10-7-16(13-15(19)6-11-21(25)26)23-22(27)24-18-9-8-17(28-2)14-20(18)29-3/h7-10,13-14H,4-6,11-12H2,1-3H3,(H2,23,24,27)
InChIKeyKBLBLUSBCDSHNK-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.43
Rot. Bonds7

About 1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2,4-dimethoxyphenyl)urea

1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2,4-dimethoxyphenyl)urea (PubChem CID 30376842) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2,4-dimethoxyphenyl)urea
PubChem CID30376842
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2,4-dimethoxyphenyl)urea
SMILESCCCCN1C(=O)CCc2cc(NC(=O)Nc3ccc(OC)cc3OC)ccc21
InChIInChI=1S/C22H27N3O4/c1-4-5-12-25-19-10-7-16(13-15(19)6-11-21(25)26)23-22(27)24-18-9-8-17(28-2)14-20(18)29-3/h7-10,13-14H,4-6,11-12H2,1-3H3,(H2,23,24,27)
InChIKeyKBLBLUSBCDSHNK-UHFFFAOYSA-N
XLogP4.43
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2,4-dimethoxyphenyl)urea with MolForge

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Related Compounds

N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,4-dimethoxybenzamide
CID 16927030
1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-chlorophenyl)urea
CID 30376690
1-(2,4-dimethoxyphenyl)-3-(1-methyl-2-oxo-3H-indol-5-yl)urea
CID 30375715
1-(3,4-dimethoxyphenyl)-3-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376300
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,2-dimethylpropanamide
CID 16926976
2,6-dimethoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzamide
CID 16926742
1-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)urea
CID 969986
(2S)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 97109094
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,6-difluorobenzamide
CID 16926960
1-(4-bromobutyl)-6-methoxy-3,4-dihydroquinolin-2-one
CID 67152877
2,5-dimethoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16828141
1-(3-ethoxypropyl)-3-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)urea
CID 91911275

Frequently Asked Questions

What is the IUPAC name of 1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2,4-dimethoxyphenyl)urea?
The IUPAC name of 1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2,4-dimethoxyphenyl)urea (CID 30376842) is 1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2,4-dimethoxyphenyl)urea is CCCCN1C(=O)CCc2cc(NC(=O)Nc3ccc(OC)cc3OC)ccc21.
What is the InChIKey of 1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2,4-dimethoxyphenyl)urea?
The InChIKey is KBLBLUSBCDSHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-4-5-12-25-19-10-7-16(13-15(19)6-11-21(25)26)23-22(27)24-18-9-8-17(28-2)14-20(18)29-3/h7-10,13-14H,4-6,11-12H2,1-3H3,(H2,23,24,27).
What are the key properties of 1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2,4-dimethoxyphenyl)urea?
1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2,4-dimethoxyphenyl)urea has a molecular weight of 397.48 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2,4-dimethoxyphenyl)urea is sourced from PubChem (CID 30376842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).