[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl] carbamate

C16H15ClN2O2 — CID 175464845

IUPAC[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl] carbamate
SMILESNC(=O)OC1Cc2ccccc2N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H15ClN2O2/c17-12-5-7-13(8-6-12)19-10-14(21-16(18)20)9-11-3-1-2-4-15(11)19/h1-8,14H,9-10H2,(H2,18,20)
InChIKeyVKZJOUVFDURXIE-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.50
Rot. Bonds2

About [1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl] carbamate

[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl] carbamate (PubChem CID 175464845) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl] carbamate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl] carbamate
PubChem CID175464845
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl] carbamate
SMILESNC(=O)OC1Cc2ccccc2N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H15ClN2O2/c17-12-5-7-13(8-6-12)19-10-14(21-16(18)20)9-11-3-1-2-4-15(11)19/h1-8,14H,9-10H2,(H2,18,20)
InChIKeyVKZJOUVFDURXIE-UHFFFAOYSA-N
XLogP3.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide
CID 163235831
(2R)-1-(4-chlorobenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428763
[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-(pyridin-4-ylmethyl)carbamate
CID 10161533
[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-pyridin-2-ylcarbamate
CID 67297196
[(3R)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate
CID 129382704
(2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 7549116
(1-ethyl-3,4-dihydro-2H-quinolin-3-yl) acetate
CID 174458357
[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-(pyridin-3-ylmethyl)carbamate
CID 10298093
[(3S,5S)-1-(2-aminophenyl)-5-(hydroxymethyl)pyrrolidin-3-yl] carbamate
CID 175091771
(4R)-1-(4-chlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 7337151
2-fluoro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide
CID 115368336
(1-tert-butyl-7-chloro-2-sulfanylidene-4,5-dihydro-3H-1-benzazepin-4-yl) carbamate
CID 167529557

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl] carbamate?
The IUPAC name of [1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl] carbamate (CID 175464845) is [1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl] carbamate.
What is the SMILES notation for [1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl] carbamate?
The canonical SMILES for [1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl] carbamate is NC(=O)OC1Cc2ccccc2N(c2ccc(Cl)cc2)C1.
What is the InChIKey of [1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl] carbamate?
The InChIKey is VKZJOUVFDURXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-12-5-7-13(8-6-12)19-10-14(21-16(18)20)9-11-3-1-2-4-15(11)19/h1-8,14H,9-10H2,(H2,18,20).
What are the key properties of [1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl] carbamate?
[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl] carbamate has a molecular weight of 302.76 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl] carbamate is sourced from PubChem (CID 175464845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).