1-cyclopentyl-3-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)urea

C16H23N3O — CID 110748659

IUPAC1-cyclopentyl-3-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)urea
SMILESCN1CCCc2ccc(NC(=O)NC3CCCC3)cc21
InChIInChI=1S/C16H23N3O/c1-19-10-4-5-12-8-9-14(11-15(12)19)18-16(20)17-13-6-2-3-7-13/h8-9,11,13H,2-7,10H2,1H3,(H2,17,18,20)
InChIKeyHUCAGUWTAHRLNV-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.13
Rot. Bonds2

About 1-cyclopentyl-3-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)urea

1-cyclopentyl-3-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)urea (PubChem CID 110748659) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)urea
PubChem CID110748659
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-cyclopentyl-3-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)urea
SMILESCN1CCCc2ccc(NC(=O)NC3CCCC3)cc21
InChIInChI=1S/C16H23N3O/c1-19-10-4-5-12-8-9-14(11-15(12)19)18-16(20)17-13-6-2-3-7-13/h8-9,11,13H,2-7,10H2,1H3,(H2,17,18,20)
InChIKeyHUCAGUWTAHRLNV-UHFFFAOYSA-N
XLogP3.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)cyclobutanecarboxamide
CID 110729129
1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 3271031
1-cycloheptyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 47132834
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 71874830
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-cyclohexyloxamide
CID 7586298
1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(oxan-4-yl)urea
CID 110623344
methyl 4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-4-oxobutanoate
CID 110729112
1-cyclopentyl-3-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]urea
CID 110666930
1-cyclohexyl-3-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]urea
CID 112506054
1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 17279067
1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
2,2,2-trifluoro-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide
CID 153408429

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)urea?
The IUPAC name of 1-cyclopentyl-3-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)urea (CID 110748659) is 1-cyclopentyl-3-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)urea?
The canonical SMILES for 1-cyclopentyl-3-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)urea is CN1CCCc2ccc(NC(=O)NC3CCCC3)cc21.
What is the InChIKey of 1-cyclopentyl-3-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)urea?
The InChIKey is HUCAGUWTAHRLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-19-10-4-5-12-8-9-14(11-15(12)19)18-16(20)17-13-6-2-3-7-13/h8-9,11,13H,2-7,10H2,1H3,(H2,17,18,20).
What are the key properties of 1-cyclopentyl-3-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)urea?
1-cyclopentyl-3-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)urea has a molecular weight of 273.38 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)urea is sourced from PubChem (CID 110748659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).