[3-(diethylamino)pyrazol-1-yl]-[(4S)-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]methanone

C25H28N4O3 — CID 143284820

IUPAC[3-(diethylamino)pyrazol-1-yl]-[(4S)-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]methanone
SMILESCCN(CC)c1ccn(C(=O)[C@H]2CCN(C(=O)c3ccc(OC)cc3)c3ccccc32)n1
InChIInChI=1S/C25H28N4O3/c1-4-27(5-2)23-15-17-29(26-23)25(31)21-14-16-28(22-9-7-6-8-20(21)22)24(30)18-10-12-19(32-3)13-11-18/h6-13,15,17,21H,4-5,14,16H2,1-3H3/t21-/m0/s1
InChIKeyYCKJTTVLSOAHMU-NRFANRHFSA-N
MW432.52 g/mol
LogP4.21
Rot. Bonds6

About [3-(diethylamino)pyrazol-1-yl]-[(4S)-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]methanone

[3-(diethylamino)pyrazol-1-yl]-[(4S)-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]methanone (PubChem CID 143284820) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is [3-(diethylamino)pyrazol-1-yl]-[(4S)-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]methanone.

Molecular Properties

Compound Name[3-(diethylamino)pyrazol-1-yl]-[(4S)-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]methanone
PubChem CID143284820
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name[3-(diethylamino)pyrazol-1-yl]-[(4S)-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]methanone
SMILESCCN(CC)c1ccn(C(=O)[C@H]2CCN(C(=O)c3ccc(OC)cc3)c3ccccc32)n1
InChIInChI=1S/C25H28N4O3/c1-4-27(5-2)23-15-17-29(26-23)25(31)21-14-16-28(22-9-7-6-8-20(21)22)24(30)18-10-12-19(32-3)13-11-18/h6-13,15,17,21H,4-5,14,16H2,1-3H3/t21-/m0/s1
InChIKeyYCKJTTVLSOAHMU-NRFANRHFSA-N
XLogP4.21
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 110709476
(3R)-1-(4-methoxybenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 124609676
3-[4-[(4S)-4-[cyclobutyl(ethyl)carbamoyl]-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-2,2-dimethylpropanoic acid
CID 143284775
2-[4-[(4S)-4-[(4-chlorophenyl)-ethylcarbamoyl]-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-2-methylpropanoic acid
CID 143284792
ethyl 4-[4-[(4S)-4-[(4-chlorophenyl)-ethylcarbamoyl]-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanoate
CID 143284843
[4-(dimethylamino)phenyl]-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110741415
[1-(4-hydroxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-morpholin-4-ylmethanone
CID 143284740
methyl 1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylate
CID 75395498
(4-fluorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110709472
1-(5-methylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 114819137
(6-methoxy-2-methylquinolin-3-yl)-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 47029898
(4-aminophenyl)-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 19607756

Frequently Asked Questions

What is the IUPAC name of [3-(diethylamino)pyrazol-1-yl]-[(4S)-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]methanone?
The IUPAC name of [3-(diethylamino)pyrazol-1-yl]-[(4S)-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]methanone (CID 143284820) is [3-(diethylamino)pyrazol-1-yl]-[(4S)-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]methanone.
What is the SMILES notation for [3-(diethylamino)pyrazol-1-yl]-[(4S)-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]methanone?
The canonical SMILES for [3-(diethylamino)pyrazol-1-yl]-[(4S)-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]methanone is CCN(CC)c1ccn(C(=O)[C@H]2CCN(C(=O)c3ccc(OC)cc3)c3ccccc32)n1.
What is the InChIKey of [3-(diethylamino)pyrazol-1-yl]-[(4S)-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]methanone?
The InChIKey is YCKJTTVLSOAHMU-NRFANRHFSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-4-27(5-2)23-15-17-29(26-23)25(31)21-14-16-28(22-9-7-6-8-20(21)22)24(30)18-10-12-19(32-3)13-11-18/h6-13,15,17,21H,4-5,14,16H2,1-3H3/t21-/m0/s1.
What are the key properties of [3-(diethylamino)pyrazol-1-yl]-[(4S)-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]methanone?
[3-(diethylamino)pyrazol-1-yl]-[(4S)-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]methanone has a molecular weight of 432.52 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diethylamino)pyrazol-1-yl]-[(4S)-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]methanone is sourced from PubChem (CID 143284820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).