1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-(3-phenylcyclopentyl)urea

C22H25N3O2 — CID 77138131

IUPAC1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-(3-phenylcyclopentyl)urea
SMILESCN1C(=O)CCc2c(NC(=O)NC3CCC(c4ccccc4)C3)cccc21
InChIInChI=1S/C22H25N3O2/c1-25-20-9-5-8-19(18(20)12-13-21(25)26)24-22(27)23-17-11-10-16(14-17)15-6-3-2-4-7-15/h2-9,16-17H,10-14H2,1H3,(H2,23,24,27)
InChIKeyLROUIROOTPZFRQ-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.05
Rot. Bonds3

About 1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-(3-phenylcyclopentyl)urea

1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-(3-phenylcyclopentyl)urea (PubChem CID 77138131) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-(3-phenylcyclopentyl)urea.

Molecular Properties

Compound Name1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-(3-phenylcyclopentyl)urea
PubChem CID77138131
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-(3-phenylcyclopentyl)urea
SMILESCN1C(=O)CCc2c(NC(=O)NC3CCC(c4ccccc4)C3)cccc21
InChIInChI=1S/C22H25N3O2/c1-25-20-9-5-8-19(18(20)12-13-21(25)26)24-22(27)23-17-11-10-16(14-17)15-6-3-2-4-7-15/h2-9,16-17H,10-14H2,1H3,(H2,23,24,27)
InChIKeyLROUIROOTPZFRQ-UHFFFAOYSA-N
XLogP4.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-[(1R,3S)-3-phenylcyclopentyl]urea
CID 66550054
1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea
CID 66551085
1-[2,6-di(propan-2-yl)phenyl]-3-(3-phenylcyclohexyl)urea
CID 19935050
cis-(1R,3S)-3-[[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 167791723
1-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-3-(1-methylindazol-4-yl)urea
CID 66550281
1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)urea
CID 24960233
1-[(1S,3R)-3-(2-fluorophenyl)cyclopentyl]-3-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-4-yl]urea
CID 66550053
1-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-3-(oxan-4-yl)urea
CID 110630403
1-[(1R,3R)-3-(2-fluorophenyl)cyclopentyl]-3-(1-methyl-2-oxoquinolin-5-yl)urea
CID 66549649
1-(1-methyl-2,3-dihydroindol-4-yl)-3-(1-propanoylpyrrolidin-3-yl)urea
CID 75381448
N-[(1R,3R)-3-phenylcyclohexyl]acetamide
CID 102139469
1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 55699121

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-(3-phenylcyclopentyl)urea?
The IUPAC name of 1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-(3-phenylcyclopentyl)urea (CID 77138131) is 1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-(3-phenylcyclopentyl)urea.
What is the SMILES notation for 1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-(3-phenylcyclopentyl)urea?
The canonical SMILES for 1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-(3-phenylcyclopentyl)urea is CN1C(=O)CCc2c(NC(=O)NC3CCC(c4ccccc4)C3)cccc21.
What is the InChIKey of 1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-(3-phenylcyclopentyl)urea?
The InChIKey is LROUIROOTPZFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-25-20-9-5-8-19(18(20)12-13-21(25)26)24-22(27)23-17-11-10-16(14-17)15-6-3-2-4-7-15/h2-9,16-17H,10-14H2,1H3,(H2,23,24,27).
What are the key properties of 1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-(3-phenylcyclopentyl)urea?
1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-(3-phenylcyclopentyl)urea has a molecular weight of 363.46 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)-3-(3-phenylcyclopentyl)urea is sourced from PubChem (CID 77138131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).