N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-methoxy-N-phenylbenzamide

C26H26N2O3 — CID 1041001

IUPACN-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-methoxy-N-phenylbenzamide
SMILESCOc1cccc(C(=O)N(c2ccccc2)[C@H]2C[C@H](C)N(C(C)=O)c3ccccc32)c1
InChIInChI=1S/C26H26N2O3/c1-18-16-25(23-14-7-8-15-24(23)27(18)19(2)29)28(21-11-5-4-6-12-21)26(30)20-10-9-13-22(17-20)31-3/h4-15,17-18,25H,16H2,1-3H3/t18-,25-/m0/s1
InChIKeyHXHUJYWBFHSGAR-BVZFJXPGSA-N
MW414.51 g/mol
LogP5.23
Rot. Bonds4

About N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-methoxy-N-phenylbenzamide

N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-methoxy-N-phenylbenzamide (PubChem CID 1041001) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-methoxy-N-phenylbenzamide.

Molecular Properties

Compound NameN-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-methoxy-N-phenylbenzamide
PubChem CID1041001
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC NameN-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-methoxy-N-phenylbenzamide
SMILESCOc1cccc(C(=O)N(c2ccccc2)[C@H]2C[C@H](C)N(C(C)=O)c3ccccc32)c1
InChIInChI=1S/C26H26N2O3/c1-18-16-25(23-14-7-8-15-24(23)27(18)19(2)29)28(21-11-5-4-6-12-21)26(30)20-10-9-13-22(17-20)31-3/h4-15,17-18,25H,16H2,1-3H3/t18-,25-/m0/s1
InChIKeyHXHUJYWBFHSGAR-BVZFJXPGSA-N
XLogP5.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-methoxy-N-phenylbenzamide
CID 2319886
3-methoxy-N-[(2R,4R)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
CID 2302424
N-[(2S,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 7097678
N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 19576143
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3,5-dinitro-N-phenylbenzamide
CID 1421350
N-[(2R,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(3-nitrophenyl)benzamide
CID 1151170
N-[(2R,4S)-2-ethyl-1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 10387869
N-[1-[3-(4-methoxyphenyl)prop-2-enoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
CID 3108035
(Z)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-methoxyphenyl)-N-phenylprop-2-enamide
CID 92914052
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-methyl-N-phenylpropanamide
CID 6581246
N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-methyl-N-phenylpropanamide
CID 7299352
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-fluoro-N-phenylbenzamide
CID 1205542

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-methoxy-N-phenylbenzamide?
The IUPAC name of N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-methoxy-N-phenylbenzamide (CID 1041001) is N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-methoxy-N-phenylbenzamide.
What is the SMILES notation for N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-methoxy-N-phenylbenzamide?
The canonical SMILES for N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-methoxy-N-phenylbenzamide is COc1cccc(C(=O)N(c2ccccc2)[C@H]2C[C@H](C)N(C(C)=O)c3ccccc32)c1.
What is the InChIKey of N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-methoxy-N-phenylbenzamide?
The InChIKey is HXHUJYWBFHSGAR-BVZFJXPGSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-18-16-25(23-14-7-8-15-24(23)27(18)19(2)29)28(21-11-5-4-6-12-21)26(30)20-10-9-13-22(17-20)31-3/h4-15,17-18,25H,16H2,1-3H3/t18-,25-/m0/s1.
What are the key properties of N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-methoxy-N-phenylbenzamide?
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-methoxy-N-phenylbenzamide has a molecular weight of 414.51 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-methoxy-N-phenylbenzamide is sourced from PubChem (CID 1041001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).