1-cycloheptyl-1-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea

C19H27N3O2 — CID 71977247

IUPAC1-cycloheptyl-1-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea
SMILESCN(C(=O)NCC1CC(=O)Nc2ccccc21)C1CCCCCC1
InChIInChI=1S/C19H27N3O2/c1-22(15-8-4-2-3-5-9-15)19(24)20-13-14-12-18(23)21-17-11-7-6-10-16(14)17/h6-7,10-11,14-15H,2-5,8-9,12-13H2,1H3,(H,20,24)(H,21,23)
InChIKeyWIHYPEOXKIOOPS-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.48
Rot. Bonds3

About 1-cycloheptyl-1-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea

1-cycloheptyl-1-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea (PubChem CID 71977247) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-cycloheptyl-1-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-cycloheptyl-1-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea
PubChem CID71977247
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-cycloheptyl-1-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea
SMILESCN(C(=O)NCC1CC(=O)Nc2ccccc21)C1CCCCCC1
InChIInChI=1S/C19H27N3O2/c1-22(15-8-4-2-3-5-9-15)19(24)20-13-14-12-18(23)21-17-11-7-6-10-16(14)17/h6-7,10-11,14-15H,2-5,8-9,12-13H2,1H3,(H,20,24)(H,21,23)
InChIKeyWIHYPEOXKIOOPS-UHFFFAOYSA-N
XLogP3.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-cycloheptyl-1-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopentyl-1-cyclopropyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea
CID 75376851
1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea
CID 97221600
2-[2-(dimethylamino)-2-phenylethyl]-1-ethyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine
CID 109375977
2-oxo-N-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 154749870
cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]cyclobutane-1-carboxamide
CID 166355069
1-(2-ethoxyethyl)-N-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]cyclopentane-1-carboxamide
CID 97228633
(4R)-N-cyclohexyl-N-cyclopropyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94052592
3-ethyl-1,1-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine
CID 86780927
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea
CID 97059749
(4R)-4-[[[(2S)-5-hydroxypentan-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 99781975
1-cyclohexyl-3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylurea
CID 108889348
4-(2-chloroethyl)-3,4-dihydro-1H-quinolin-2-one
CID 14624973

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-1-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea?
The IUPAC name of 1-cycloheptyl-1-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea (CID 71977247) is 1-cycloheptyl-1-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea.
What is the SMILES notation for 1-cycloheptyl-1-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea?
The canonical SMILES for 1-cycloheptyl-1-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea is CN(C(=O)NCC1CC(=O)Nc2ccccc21)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-1-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea?
The InChIKey is WIHYPEOXKIOOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-22(15-8-4-2-3-5-9-15)19(24)20-13-14-12-18(23)21-17-11-7-6-10-16(14)17/h6-7,10-11,14-15H,2-5,8-9,12-13H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 1-cycloheptyl-1-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea?
1-cycloheptyl-1-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea has a molecular weight of 329.44 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-1-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea is sourced from PubChem (CID 71977247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).