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

C24H30N2O3 — CID 175245779

IUPAC4-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]hexanamide
SMILESCCC(CCC(N)=O)C1CC(C)N(C(=O)c2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C24H30N2O3/c1-4-17(11-14-23(25)27)21-15-16(2)26(22-8-6-5-7-20(21)22)24(28)18-9-12-19(29-3)13-10-18/h5-10,12-13,16-17,21H,4,11,14-15H2,1-3H3,(H2,25,27)
InChIKeyPKNUJIKOSGXDIW-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.51
Rot. Bonds7

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

4-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]hexanamide (PubChem CID 175245779) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]hexanamide.

Molecular Properties

Compound Name4-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]hexanamide
PubChem CID175245779
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name4-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]hexanamide
SMILESCCC(CCC(N)=O)C1CC(C)N(C(=O)c2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C24H30N2O3/c1-4-17(11-14-23(25)27)21-15-16(2)26(22-8-6-5-7-20(21)22)24(28)18-9-12-19(29-3)13-10-18/h5-10,12-13,16-17,21H,4,11,14-15H2,1-3H3,(H2,25,27)
InChIKeyPKNUJIKOSGXDIW-UHFFFAOYSA-N
XLogP4.51
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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
N-benzyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 69401991
N-cyclopropyl-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 68923656
[(2S)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 69402619
(4-methoxyphenyl)-[(2S,4R)-2-methyl-4-(pyridin-4-ylamino)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 68923504
N-(2-cyclopropylethyl)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 90881986
N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 58859767
N-(3,4-dimethylphenyl)-N-ethyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 67165995
3-[4-[acetyl-[(4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanoic acid
CID 71029107
3-[4-[acetyl-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-N,N-dimethylpropanamide
CID 58859661
methyl 2-[4-[acetyl-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenoxy]acetate
CID 68921236

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]hexanamide?
The IUPAC name of 4-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]hexanamide (CID 175245779) is 4-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]hexanamide.
What is the SMILES notation for 4-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]hexanamide?
The canonical SMILES for 4-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]hexanamide is CCC(CCC(N)=O)C1CC(C)N(C(=O)c2ccc(OC)cc2)c2ccccc21.
What is the InChIKey of 4-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]hexanamide?
The InChIKey is PKNUJIKOSGXDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-4-17(11-14-23(25)27)21-15-16(2)26(22-8-6-5-7-20(21)22)24(28)18-9-12-19(29-3)13-10-18/h5-10,12-13,16-17,21H,4,11,14-15H2,1-3H3,(H2,25,27).
What are the key properties of 4-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]hexanamide?
4-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]hexanamide has a molecular weight of 394.52 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]hexanamide is sourced from PubChem (CID 175245779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).