[(3R)-7-[(1R)-1-hydroxyethyl]-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea

C20H23N3O3 — CID 178034142

IUPAC[(3R)-7-[(1R)-1-hydroxyethyl]-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea
SMILESC[C@@H](O)c1ccc2c(c1)N([C@@H](C)c1ccccc1)C(=O)[C@H](NC(N)=O)C2
InChIInChI=1S/C20H23N3O3/c1-12(14-6-4-3-5-7-14)23-18-11-15(13(2)24)8-9-16(18)10-17(19(23)25)22-20(21)26/h3-9,11-13,17,24H,10H2,1-2H3,(H3,21,22,26)/t12-,13+,17+/m0/s1
InChIKeyGAWMDQYIVHRUOV-OGHNNQOOSA-N
MW353.42 g/mol
LogP2.43
Rot. Bonds4

About [(3R)-7-[(1R)-1-hydroxyethyl]-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea

[(3R)-7-[(1R)-1-hydroxyethyl]-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea (PubChem CID 178034142) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is [(3R)-7-[(1R)-1-hydroxyethyl]-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea.

Molecular Properties

Compound Name[(3R)-7-[(1R)-1-hydroxyethyl]-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea
PubChem CID178034142
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name[(3R)-7-[(1R)-1-hydroxyethyl]-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea
SMILESC[C@@H](O)c1ccc2c(c1)N([C@@H](C)c1ccccc1)C(=O)[C@H](NC(N)=O)C2
InChIInChI=1S/C20H23N3O3/c1-12(14-6-4-3-5-7-14)23-18-11-15(13(2)24)8-9-16(18)10-17(19(23)25)22-20(21)26/h3-9,11-13,17,24H,10H2,1-2H3,(H3,21,22,26)/t12-,13+,17+/m0/s1
InChIKeyGAWMDQYIVHRUOV-OGHNNQOOSA-N
XLogP2.43
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(3R)-7-[(1R)-1-hydroxyethyl]-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea with MolForge

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Related Compounds

[(3R)-2-oxo-1-[(1S)-1-phenylethyl]-7-(trifluoromethyl)-3,4-dihydro-1,6-naphthyridin-3-yl]urea
CID 178034557
[(3R)-6-fluoro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea
CID 178034082
[(3R)-7-chloro-2-oxo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydroquinolin-3-yl]urea
CID 178034334
tert-butyl N-[(3R)-7-cyano-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]carbamate
CID 178034140
tert-butyl N-[(3R)-2-oxo-1-[(1S)-1-phenylethyl]-7-(trifluoromethoxy)-3,4-dihydroquinolin-3-yl]carbamate
CID 178034326
tert-butyl N-[(3R)-7-nitro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]carbamate
CID 178034199
[(3R)-7-chloro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl] carbamate
CID 178034093
(3R)-3-amino-7-cyclopropyl-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one
CID 178034289
(3R)-3-amino-7-(hydroxymethyl)-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one
CID 178034416
tert-butyl N-[(3R)-2-oxo-1-[(1S)-1-(3-phenoxyphenyl)ethyl]-3,4-dihydroquinolin-3-yl]carbamate
CID 178034272
(3R)-3-amino-7-(1-hydroxycyclopropyl)-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one
CID 178034245
[7-chloro-2-oxo-1-[(1S)-1-[3-[[3-(1H-pyrazol-4-yl)phenyl]methoxy]phenyl]ethyl]-3,4-dihydroquinolin-3-yl]urea
CID 178034390

Frequently Asked Questions

What is the IUPAC name of [(3R)-7-[(1R)-1-hydroxyethyl]-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea?
The IUPAC name of [(3R)-7-[(1R)-1-hydroxyethyl]-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea (CID 178034142) is [(3R)-7-[(1R)-1-hydroxyethyl]-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea.
What is the SMILES notation for [(3R)-7-[(1R)-1-hydroxyethyl]-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea?
The canonical SMILES for [(3R)-7-[(1R)-1-hydroxyethyl]-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea is C[C@@H](O)c1ccc2c(c1)N([C@@H](C)c1ccccc1)C(=O)[C@H](NC(N)=O)C2.
What is the InChIKey of [(3R)-7-[(1R)-1-hydroxyethyl]-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea?
The InChIKey is GAWMDQYIVHRUOV-OGHNNQOOSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12(14-6-4-3-5-7-14)23-18-11-15(13(2)24)8-9-16(18)10-17(19(23)25)22-20(21)26/h3-9,11-13,17,24H,10H2,1-2H3,(H3,21,22,26)/t12-,13+,17+/m0/s1.
What are the key properties of [(3R)-7-[(1R)-1-hydroxyethyl]-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea?
[(3R)-7-[(1R)-1-hydroxyethyl]-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea has a molecular weight of 353.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-7-[(1R)-1-hydroxyethyl]-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea is sourced from PubChem (CID 178034142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).