1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]-3-propan-2-ylurea

C15H21N3O2 — CID 110748751

IUPAC1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCN1C(=O)CCc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-11(2)17-15(20)16-9-10-18-13-6-4-3-5-12(13)7-8-14(18)19/h3-6,11H,7-10H2,1-2H3,(H2,16,17,20)
InChIKeyNQYRPORCCCOSCN-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.67
Rot. Bonds4

About 1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]-3-propan-2-ylurea

1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]-3-propan-2-ylurea (PubChem CID 110748751) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]-3-propan-2-ylurea
PubChem CID110748751
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCN1C(=O)CCc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-11(2)17-15(20)16-9-10-18-13-6-4-3-5-12(13)7-8-14(18)19/h3-6,11H,7-10H2,1-2H3,(H2,16,17,20)
InChIKeyNQYRPORCCCOSCN-UHFFFAOYSA-N
XLogP1.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 28940061
(2S,3S)-3-methyl-2-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]pentanoic acid
CID 119194377
N-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]methanesulfonamide
CID 110729989
1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one
CID 43509835
1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one
CID 103935304
1-hexyl-3,4-dihydroquinolin-2-one
CID 91805726
2-acetamido-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid
CID 64583291
2-methyl-3-(methylamino)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide;hydrochloride
CID 119745286
3-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid
CID 119212127
1-(2-chloroethyl)-3,4-dihydroquinolin-2-one
CID 12992360
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
6-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]hexanoic acid
CID 119220243

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]-3-propan-2-ylurea (CID 110748751) is 1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]-3-propan-2-ylurea is CC(C)NC(=O)NCCN1C(=O)CCc2ccccc21.
What is the InChIKey of 1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]-3-propan-2-ylurea?
The InChIKey is NQYRPORCCCOSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(2)17-15(20)16-9-10-18-13-6-4-3-5-12(13)7-8-14(18)19/h3-6,11H,7-10H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]-3-propan-2-ylurea?
1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]-3-propan-2-ylurea has a molecular weight of 275.35 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 110748751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).