[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methylcarbamic acid

C18H17ClN2O3 — CID 155093178

IUPAC[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methylcarbamic acid
SMILESO=C(O)NCc1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O3/c19-15-5-1-3-14(10-15)17(22)21-8-2-4-13-9-12(6-7-16(13)21)11-20-18(23)24/h1,3,5-7,9-10,20H,2,4,8,11H2,(H,23,24)
InChIKeyIWYSJBVLRPDHBQ-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.70
Rot. Bonds3

About [1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methylcarbamic acid

[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methylcarbamic acid (PubChem CID 155093178) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is [1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methylcarbamic acid.

Molecular Properties

Compound Name[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methylcarbamic acid
PubChem CID155093178
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methylcarbamic acid
SMILESO=C(O)NCc1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O3/c19-15-5-1-3-14(10-15)17(22)21-8-2-4-13-9-12(6-7-16(13)21)11-20-18(23)24/h1,3,5-7,9-10,20H,2,4,8,11H2,(H,23,24)
InChIKeyIWYSJBVLRPDHBQ-UHFFFAOYSA-N
XLogP3.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[[1-(3-methylbenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide
CID 142580537
3-chloro-N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide
CID 142580111
1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248218
N-[(2R)-butan-2-yl]-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 94086775
1-(3-chlorobenzoyl)-N-(3,5-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248230
(3-chlorophenyl)-(6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17248252
N-benzhydryl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248278
N-butyl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248184
(2R)-2-[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(4-chlorophenyl)propanamide
CID 142580338
1-(3-chlorobenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248266
1-(3-chlorobenzoyl)-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248191
1-(3-chlorobenzoyl)-N-(4-ethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248236

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methylcarbamic acid?
The IUPAC name of [1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methylcarbamic acid (CID 155093178) is [1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methylcarbamic acid.
What is the SMILES notation for [1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methylcarbamic acid?
The canonical SMILES for [1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methylcarbamic acid is O=C(O)NCc1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1.
What is the InChIKey of [1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methylcarbamic acid?
The InChIKey is IWYSJBVLRPDHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c19-15-5-1-3-14(10-15)17(22)21-8-2-4-13-9-12(6-7-16(13)21)11-20-18(23)24/h1,3,5-7,9-10,20H,2,4,8,11H2,(H,23,24).
What are the key properties of [1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methylcarbamic acid?
[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methylcarbamic acid has a molecular weight of 344.80 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methylcarbamic acid is sourced from PubChem (CID 155093178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).