(4S)-N-ethyl-N-(4-ethylphenyl)-1-[methoxy-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide

C29H34N2O3 — CID 143284839

IUPAC(4S)-N-ethyl-N-(4-ethylphenyl)-1-[methoxy-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESCCc1ccc(N(CC)C(=O)[C@H]2CCN(C(OC)c3ccc(OC)cc3)c3ccccc32)cc1
InChIInChI=1S/C29H34N2O3/c1-5-21-11-15-23(16-12-21)30(6-2)28(32)26-19-20-31(27-10-8-7-9-25(26)27)29(34-4)22-13-17-24(33-3)18-14-22/h7-18,26,29H,5-6,19-20H2,1-4H3/t26-,29?/m0/s1
InChIKeyXDBAJIYVNWHKKJ-QUWDGAPNSA-N
MW458.60 g/mol
LogP5.95
Rot. Bonds8

About (4S)-N-ethyl-N-(4-ethylphenyl)-1-[methoxy-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide

(4S)-N-ethyl-N-(4-ethylphenyl)-1-[methoxy-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide (PubChem CID 143284839) has the molecular formula C29H34N2O3 and a molecular weight of 458.60 g/mol. Its IUPAC name is (4S)-N-ethyl-N-(4-ethylphenyl)-1-[methoxy-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-ethyl-N-(4-ethylphenyl)-1-[methoxy-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide
PubChem CID143284839
Molecular FormulaC29H34N2O3
Molecular Weight458.60 g/mol
Exact Mass458.26
IUPAC Name(4S)-N-ethyl-N-(4-ethylphenyl)-1-[methoxy-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESCCc1ccc(N(CC)C(=O)[C@H]2CCN(C(OC)c3ccc(OC)cc3)c3ccccc32)cc1
InChIInChI=1S/C29H34N2O3/c1-5-21-11-15-23(16-12-21)30(6-2)28(32)26-19-20-31(27-10-8-7-9-25(26)27)29(34-4)22-13-17-24(33-3)18-14-22/h7-18,26,29H,5-6,19-20H2,1-4H3/t26-,29?/m0/s1
InChIKeyXDBAJIYVNWHKKJ-QUWDGAPNSA-N
XLogP5.95
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-N-(4-chlorophenyl)-N-ethyl-1-[2-(4-methoxyphenyl)acetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 58732790
ethane;N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 142124483
2-[4-[(4S)-4-[(4-chlorophenyl)-ethylcarbamoyl]-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-2-methylpropanoic acid
CID 143284792
N-(3,4-dimethylphenyl)-N-ethyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 67165995
ethyl 4-[4-[(4S)-4-[(4-chlorophenyl)-ethylcarbamoyl]-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanoate
CID 143284843
1-[3-(4-methoxyphenyl)butanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691427
N-methoxy-N,1-dimethyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 102583329
[1-(2-ethylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanol
CID 67899203
2-(4-methoxyphenyl)-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetamide
CID 110751393
CID 90350135
CID 90350135
butan-2-one;1-ethyl-4-methoxybenzene;(2S)-2-ethyl-1-pentylazetidine
CID 156731865
[3-(diethylamino)pyrazol-1-yl]-[(4S)-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]methanone
CID 143284820

Frequently Asked Questions

What is the IUPAC name of (4S)-N-ethyl-N-(4-ethylphenyl)-1-[methoxy-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide?
The IUPAC name of (4S)-N-ethyl-N-(4-ethylphenyl)-1-[methoxy-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide (CID 143284839) is (4S)-N-ethyl-N-(4-ethylphenyl)-1-[methoxy-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide.
What is the SMILES notation for (4S)-N-ethyl-N-(4-ethylphenyl)-1-[methoxy-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide?
The canonical SMILES for (4S)-N-ethyl-N-(4-ethylphenyl)-1-[methoxy-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide is CCc1ccc(N(CC)C(=O)[C@H]2CCN(C(OC)c3ccc(OC)cc3)c3ccccc32)cc1.
What is the InChIKey of (4S)-N-ethyl-N-(4-ethylphenyl)-1-[methoxy-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide?
The InChIKey is XDBAJIYVNWHKKJ-QUWDGAPNSA-N. The full InChI is InChI=1S/C29H34N2O3/c1-5-21-11-15-23(16-12-21)30(6-2)28(32)26-19-20-31(27-10-8-7-9-25(26)27)29(34-4)22-13-17-24(33-3)18-14-22/h7-18,26,29H,5-6,19-20H2,1-4H3/t26-,29?/m0/s1.
What are the key properties of (4S)-N-ethyl-N-(4-ethylphenyl)-1-[methoxy-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide?
(4S)-N-ethyl-N-(4-ethylphenyl)-1-[methoxy-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide has a molecular weight of 458.60 g/mol, XLogP of 5.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-ethyl-N-(4-ethylphenyl)-1-[methoxy-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide is sourced from PubChem (CID 143284839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).