[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea

C13H17N3O2 — CID 47097542

IUPAC[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea
SMILESCC(NC(N)=O)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C13H17N3O2/c1-9(15-13(14)18)12(17)16-8-4-6-10-5-2-3-7-11(10)16/h2-3,5,7,9H,4,6,8H2,1H3,(H3,14,15,18)
InChIKeyDCDMTZVZOZNGRP-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.02
Rot. Bonds2

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

[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea (PubChem CID 47097542) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea.

Molecular Properties

Compound Name[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea
PubChem CID47097542
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea
SMILESCC(NC(N)=O)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C13H17N3O2/c1-9(15-13(14)18)12(17)16-8-4-6-10-5-2-3-7-11(10)16/h2-3,5,7,9H,4,6,8H2,1H3,(H3,14,15,18)
InChIKeyDCDMTZVZOZNGRP-UHFFFAOYSA-N
XLogP1.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid
CID 70362593
N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2-methylbenzamide
CID 53037121
4-bromo-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide
CID 53037123
N-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-propan-2-ylbenzamide
CID 95091917
2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 3271608
2-(2-bromophenyl)-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]acetamide
CID 53125880
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzamide
CID 95056727
N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110922742
ethyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348137
(2S)-2-amino-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propan-1-one;hydrochloride
CID 119294288
N-[4-[[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide
CID 31268249

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea?
The IUPAC name of [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea (CID 47097542) is [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea.
What is the SMILES notation for [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea?
The canonical SMILES for [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea is CC(NC(N)=O)C(=O)N1CCCc2ccccc21.
What is the InChIKey of [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea?
The InChIKey is DCDMTZVZOZNGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(15-13(14)18)12(17)16-8-4-6-10-5-2-3-7-11(10)16/h2-3,5,7,9H,4,6,8H2,1H3,(H3,14,15,18).
What are the key properties of [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea?
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea has a molecular weight of 247.30 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea is sourced from PubChem (CID 47097542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).