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

C29H31N3O3 — CID 69402619

IUPAC[(2S)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2c3ccccc3C(C(=O)N3CCN(c4ccccc4)CC3)C[C@@H]2C)cc1
InChIInChI=1S/C29H31N3O3/c1-21-20-26(29(34)31-18-16-30(17-19-31)23-8-4-3-5-9-23)25-10-6-7-11-27(25)32(21)28(33)22-12-14-24(35-2)15-13-22/h3-15,21,26H,16-20H2,1-2H3/t21-,26?/m0/s1
InChIKeyISUNSXOYWSPNJW-GVNKFJBHSA-N
MW469.59 g/mol
LogP4.57
Rot. Bonds4

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

[(2S)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 69402619) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is [(2S)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(2S)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID69402619
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC Name[(2S)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2c3ccccc3C(C(=O)N3CCN(c4ccccc4)CC3)C[C@@H]2C)cc1
InChIInChI=1S/C29H31N3O3/c1-21-20-26(29(34)31-18-16-30(17-19-31)23-8-4-3-5-9-23)25-10-6-7-11-27(25)32(21)28(33)22-12-14-24(35-2)15-13-22/h3-15,21,26H,16-20H2,1-2H3/t21-,26?/m0/s1
InChIKeyISUNSXOYWSPNJW-GVNKFJBHSA-N
XLogP4.57
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone with MolForge

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Related Compounds

N-benzyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 69401991
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 585634
[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methoxyphenyl)methanone
CID 1102966
2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 69401928
N-(2-cyclopropylethyl)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 90881986
1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 69401406
(4-methoxyphenyl)-[(2S,4R)-2-methyl-4-(pyridin-4-ylamino)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 68923504
N-cyclopropyl-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 68923656
N-(3,4-dimethylphenyl)-N-ethyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 67165995
(4-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 2910930
(3R)-1-(4-methoxybenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 124609676
[6-methoxy-4-(4-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 3843727

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [(2S)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone (CID 69402619) is [(2S)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [(2S)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [(2S)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone is COc1ccc(C(=O)N2c3ccccc3C(C(=O)N3CCN(c4ccccc4)CC3)C[C@@H]2C)cc1.
What is the InChIKey of [(2S)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is ISUNSXOYWSPNJW-GVNKFJBHSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-21-20-26(29(34)31-18-16-30(17-19-31)23-8-4-3-5-9-23)25-10-6-7-11-27(25)32(21)28(33)22-12-14-24(35-2)15-13-22/h3-15,21,26H,16-20H2,1-2H3/t21-,26?/m0/s1.
What are the key properties of [(2S)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
[(2S)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 469.59 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 69402619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).