3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-hydroxybenzamide

C18H17ClN2O3 — CID 47078456

IUPAC3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-hydroxybenzamide
SMILESO=C(NCC(=O)N1CCCc2ccccc21)c1ccc(O)c(Cl)c1
InChIInChI=1S/C18H17ClN2O3/c19-14-10-13(7-8-16(14)22)18(24)20-11-17(23)21-9-3-5-12-4-1-2-6-15(12)21/h1-2,4,6-8,10,22H,3,5,9,11H2,(H,20,24)
InChIKeyGJJWGOPNPMTZMM-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.75
Rot. Bonds3

About 3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-hydroxybenzamide

3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-hydroxybenzamide (PubChem CID 47078456) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-hydroxybenzamide
PubChem CID47078456
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-hydroxybenzamide
SMILESO=C(NCC(=O)N1CCCc2ccccc21)c1ccc(O)c(Cl)c1
InChIInChI=1S/C18H17ClN2O3/c19-14-10-13(7-8-16(14)22)18(24)20-11-17(23)21-9-3-5-12-4-1-2-6-15(12)21/h1-2,4,6-8,10,22H,3,5,9,11H2,(H,20,24)
InChIKeyGJJWGOPNPMTZMM-UHFFFAOYSA-N
XLogP2.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 51160588
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 47714484
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(dimethylamino)benzamide
CID 53125847
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 51160617
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 71886262
3-chloro-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxybenzamide
CID 37193661
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-phenylbenzamide
CID 110370767
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 51125676
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 53125842
N-[2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110673378
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112996355
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(dimethylamino)benzamide
CID 110673376

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-hydroxybenzamide (CID 47078456) is 3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-hydroxybenzamide is O=C(NCC(=O)N1CCCc2ccccc21)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-hydroxybenzamide?
The InChIKey is GJJWGOPNPMTZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c19-14-10-13(7-8-16(14)22)18(24)20-11-17(23)21-9-3-5-12-4-1-2-6-15(12)21/h1-2,4,6-8,10,22H,3,5,9,11H2,(H,20,24).
What are the key properties of 3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-hydroxybenzamide?
3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-hydroxybenzamide has a molecular weight of 344.80 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-hydroxybenzamide is sourced from PubChem (CID 47078456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).