4-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-N-phenylbutanamide

C19H21ClN2O2 — CID 175260029

IUPAC4-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-N-phenylbutanamide
SMILESO=C(CCC(O)N1CCCc2cc(Cl)ccc21)Nc1ccccc1
InChIInChI=1S/C19H21ClN2O2/c20-15-8-9-17-14(13-15)5-4-12-22(17)19(24)11-10-18(23)21-16-6-2-1-3-7-16/h1-3,6-9,13,19,24H,4-5,10-12H2,(H,21,23)
InChIKeyMOYQELFUACPVCR-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.83
Rot. Bonds5

About 4-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-N-phenylbutanamide

4-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-N-phenylbutanamide (PubChem CID 175260029) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 4-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-N-phenylbutanamide.

Molecular Properties

Compound Name4-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-N-phenylbutanamide
PubChem CID175260029
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name4-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-N-phenylbutanamide
SMILESO=C(CCC(O)N1CCCc2cc(Cl)ccc21)Nc1ccccc1
InChIInChI=1S/C19H21ClN2O2/c20-15-8-9-17-14(13-15)5-4-12-22(17)19(24)11-10-18(23)21-16-6-2-1-3-7-16/h1-3,6-9,13,19,24H,4-5,10-12H2,(H,21,23)
InChIKeyMOYQELFUACPVCR-UHFFFAOYSA-N
XLogP3.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69222522
6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 134093336
6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110747484
methyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 82473511
methyl N-[4-[[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-methylpentanoyl]amino]phenyl]sulfonylcarbamate
CID 25118183
5-anilino-2-methyl-5-oxopentanoic acid
CID 2950289
(2R)-5-anilino-2-methyl-5-oxopentanoic acid
CID 976695
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)butanamide
CID 939823
2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 78860764
2-(2,4-dichlorophenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7498754
(4R)-4-hydroxy-N-phenylhexanamide
CID 155936166
3-(3-chloroanilino)-N-phenylpropanamide
CID 109033817

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-N-phenylbutanamide?
The IUPAC name of 4-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-N-phenylbutanamide (CID 175260029) is 4-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-N-phenylbutanamide.
What is the SMILES notation for 4-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-N-phenylbutanamide?
The canonical SMILES for 4-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-N-phenylbutanamide is O=C(CCC(O)N1CCCc2cc(Cl)ccc21)Nc1ccccc1.
What is the InChIKey of 4-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-N-phenylbutanamide?
The InChIKey is MOYQELFUACPVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-15-8-9-17-14(13-15)5-4-12-22(17)19(24)11-10-18(23)21-16-6-2-1-3-7-16/h1-3,6-9,13,19,24H,4-5,10-12H2,(H,21,23).
What are the key properties of 4-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-N-phenylbutanamide?
4-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-N-phenylbutanamide has a molecular weight of 344.84 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-N-phenylbutanamide is sourced from PubChem (CID 175260029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).