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

C18H17ClN2O3 — CID 178034093

IUPAC[(3R)-7-chloro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl] carbamate
SMILESC[C@@H](c1ccccc1)N1C(=O)[C@H](OC(N)=O)Cc2ccc(Cl)cc21
InChIInChI=1S/C18H17ClN2O3/c1-11(12-5-3-2-4-6-12)21-15-10-14(19)8-7-13(15)9-16(17(21)22)24-18(20)23/h2-8,10-11,16H,9H2,1H3,(H2,20,23)/t11-,16+/m0/s1
InChIKeyBBBDZZGXZBRJLM-MEDUHNTESA-N
MW344.80 g/mol
LogP3.45
Rot. Bonds3

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

[(3R)-7-chloro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl] carbamate (PubChem CID 178034093) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is [(3R)-7-chloro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl] carbamate.

Molecular Properties

Compound Name[(3R)-7-chloro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl] carbamate
PubChem CID178034093
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name[(3R)-7-chloro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl] carbamate
SMILESC[C@@H](c1ccccc1)N1C(=O)[C@H](OC(N)=O)Cc2ccc(Cl)cc21
InChIInChI=1S/C18H17ClN2O3/c1-11(12-5-3-2-4-6-12)21-15-10-14(19)8-7-13(15)9-16(17(21)22)24-18(20)23/h2-8,10-11,16H,9H2,1H3,(H2,20,23)/t11-,16+/m0/s1
InChIKeyBBBDZZGXZBRJLM-MEDUHNTESA-N
XLogP3.45
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

[7-chloro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl] N-(2,2,2-trichloroacetyl)carbamate
CID 178034338
(3R)-3-amino-7-chloro-1-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydroquinolin-2-one
CID 178034432
[(3R)-7-chloro-2-oxo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydroquinolin-3-yl]urea
CID 178034334
[(3R)-7-[(1R)-1-hydroxyethyl]-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea
CID 178034142
(3R)-3-amino-7-(hydroxymethyl)-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one
CID 178034416
(3R)-3-amino-7-cyclopropyl-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one
CID 178034289
(3R)-3-amino-7-(1-hydroxycyclopropyl)-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one
CID 178034245
tert-butyl N-[(3R)-7-cyano-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]carbamate
CID 178034140
1-[(1S)-1-phenylethyl]-7-(trifluoromethylsulfanyl)-3,4-dihydroquinolin-2-one;urea
CID 178034160
[(3R)-6-fluoro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea
CID 178034082
[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
benzoyl chloride;[(3R)-2,5-dioxo-1-(1-phenylethyl)pyrrolidin-3-yl] benzoate;(3R)-3-hydroxy-1-(1-phenylethyl)pyrrolidine-2,5-dione
CID 163976148

Frequently Asked Questions

What is the IUPAC name of [(3R)-7-chloro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl] carbamate?
The IUPAC name of [(3R)-7-chloro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl] carbamate (CID 178034093) is [(3R)-7-chloro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl] carbamate.
What is the SMILES notation for [(3R)-7-chloro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl] carbamate?
The canonical SMILES for [(3R)-7-chloro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl] carbamate is C[C@@H](c1ccccc1)N1C(=O)[C@H](OC(N)=O)Cc2ccc(Cl)cc21.
What is the InChIKey of [(3R)-7-chloro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl] carbamate?
The InChIKey is BBBDZZGXZBRJLM-MEDUHNTESA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-11(12-5-3-2-4-6-12)21-15-10-14(19)8-7-13(15)9-16(17(21)22)24-18(20)23/h2-8,10-11,16H,9H2,1H3,(H2,20,23)/t11-,16+/m0/s1.
What are the key properties of [(3R)-7-chloro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl] carbamate?
[(3R)-7-chloro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl] carbamate has a molecular weight of 344.80 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-7-chloro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl] carbamate is sourced from PubChem (CID 178034093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).