1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea

C25H29N3O4 — CID 3194801

IUPAC1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea
SMILESCCOc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3OC)C3CCCC3)cc2c1
InChIInChI=1S/C25H29N3O4/c1-3-32-20-12-13-21-17(15-20)14-18(24(29)26-21)16-28(19-8-4-5-9-19)25(30)27-22-10-6-7-11-23(22)31-2/h6-7,10-15,19H,3-5,8-9,16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyKVRRHDAZJJXJEG-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.91
Rot. Bonds7

About 1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea

1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea (PubChem CID 3194801) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea
PubChem CID3194801
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea
SMILESCCOc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3OC)C3CCCC3)cc2c1
InChIInChI=1S/C25H29N3O4/c1-3-32-20-12-13-21-17(15-20)14-18(24(29)26-21)16-28(19-8-4-5-9-19)25(30)27-22-10-6-7-11-23(22)31-2/h6-7,10-15,19H,3-5,8-9,16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyKVRRHDAZJJXJEG-UHFFFAOYSA-N
XLogP4.91
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea
CID 1430901
1-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea
CID 1430907
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 25452247
1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 1430573
N-cyclopentyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3194180
1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 1430583
1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)thiourea
CID 1137416
1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 3194862
1-cyclopentyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)thiourea
CID 1137649
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]urea
CID 1437233
methyl 2-[[cyclopentyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate
CID 1142078
1-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methoxypropyl)thiourea
CID 3172067

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea (CID 3194801) is 1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea is CCOc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3OC)C3CCCC3)cc2c1.
What is the InChIKey of 1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea?
The InChIKey is KVRRHDAZJJXJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-3-32-20-12-13-21-17(15-20)14-18(24(29)26-21)16-28(19-8-4-5-9-19)25(30)27-22-10-6-7-11-23(22)31-2/h6-7,10-15,19H,3-5,8-9,16H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea?
1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea has a molecular weight of 435.52 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 3194801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).