[2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]urea

C14H19N3O2 — CID 115168783

IUPAC[2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]urea
SMILESCC(C)(CNC(N)=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H19N3O2/c1-14(2,8-16-13(15)19)10-4-5-11-9(7-10)3-6-12(18)17-11/h4-5,7H,3,6,8H2,1-2H3,(H,17,18)(H3,15,16,19)
InChIKeyZGOAMJLNBQGZSR-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.52
Rot. Bonds3

About [2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]urea

[2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]urea (PubChem CID 115168783) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]urea.

Molecular Properties

Compound Name[2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]urea
PubChem CID115168783
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name[2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]urea
SMILESCC(C)(CNC(N)=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H19N3O2/c1-14(2,8-16-13(15)19)10-4-5-11-9(7-10)3-6-12(18)17-11/h4-5,7H,3,6,8H2,1-2H3,(H,17,18)(H3,15,16,19)
InChIKeyZGOAMJLNBQGZSR-UHFFFAOYSA-N
XLogP1.52
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]acetamide
CID 115191431
6-[2-methyl-1-(sulfanylmethylamino)propan-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 115228559
N-[2-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)propyl]carbamoyl bromide
CID 115194235
5-[1-(hydroxymethylamino)-2-methylpropan-2-yl]-1,3-dihydroindol-2-one
CID 115229633
[2-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propyl]urea
CID 115168782
5-[2-methyl-1-(methylaminomethylamino)propan-2-yl]-1,3-dihydroindol-2-one
CID 115227485
6-(3-amino-1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116838540
6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915356
N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]oxamide
CID 115191821
6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915723
(2S)-2-amino-3,3-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 61154271
6-(1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116841256

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]urea?
The IUPAC name of [2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]urea (CID 115168783) is [2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]urea.
What is the SMILES notation for [2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]urea?
The canonical SMILES for [2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]urea is CC(C)(CNC(N)=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of [2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]urea?
The InChIKey is ZGOAMJLNBQGZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,8-16-13(15)19)10-4-5-11-9(7-10)3-6-12(18)17-11/h4-5,7H,3,6,8H2,1-2H3,(H,17,18)(H3,15,16,19).
What are the key properties of [2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]urea?
[2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]urea has a molecular weight of 261.32 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]urea is sourced from PubChem (CID 115168783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).