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

C29H32N2O3 — CID 2302424

IUPAC3-methoxy-N-[(2R,4R)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
SMILESCCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2cccc(OC)c2)c2ccccc2)C[C@H]1C
InChIInChI=1S/C29H32N2O3/c1-4-5-18-28(32)30-21(2)19-27(25-16-9-10-17-26(25)30)31(23-13-7-6-8-14-23)29(33)22-12-11-15-24(20-22)34-3/h6-17,20-21,27H,4-5,18-19H2,1-3H3/t21-,27-/m1/s1
InChIKeyZXEGFJPLCRXGGD-JIPXPUAJSA-N
MW456.59 g/mol
LogP6.40
Rot. Bonds7

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

3-methoxy-N-[(2R,4R)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide (PubChem CID 2302424) has the molecular formula C29H32N2O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is 3-methoxy-N-[(2R,4R)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-methoxy-N-[(2R,4R)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
PubChem CID2302424
Molecular FormulaC29H32N2O3
Molecular Weight456.59 g/mol
Exact Mass456.24
IUPAC Name3-methoxy-N-[(2R,4R)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
SMILESCCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2cccc(OC)c2)c2ccccc2)C[C@H]1C
InChIInChI=1S/C29H32N2O3/c1-4-5-18-28(32)30-21(2)19-27(25-16-9-10-17-26(25)30)31(23-13-7-6-8-14-23)29(33)22-12-11-15-24(20-22)34-3/h6-17,20-21,27H,4-5,18-19H2,1-3H3/t21-,27-/m1/s1
InChIKeyZXEGFJPLCRXGGD-JIPXPUAJSA-N
XLogP6.40
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-N-[(2R,4R)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-methoxy-N-phenylbenzamide
CID 1041001
N-[(2S,4S)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 7315666
N-[(2R,4S)-1-butanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-nitro-N-phenylbenzamide
CID 1048617
N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
CID 1315658
N-[(2S,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 7097678
N-[(2R,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-methoxy-N-phenylbenzamide
CID 2319886
N-[(2R,4R)-2-methyl-1-octanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 9499477
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpentanamide
CID 6581067
N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 19576143
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
2-(4-methoxyphenoxy)-N-[(2S,4R)-1-[2-(4-methoxyphenoxy)acetyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 1212270

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2R,4R)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide?
The IUPAC name of 3-methoxy-N-[(2R,4R)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide (CID 2302424) is 3-methoxy-N-[(2R,4R)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide.
What is the SMILES notation for 3-methoxy-N-[(2R,4R)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide?
The canonical SMILES for 3-methoxy-N-[(2R,4R)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide is CCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2cccc(OC)c2)c2ccccc2)C[C@H]1C.
What is the InChIKey of 3-methoxy-N-[(2R,4R)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide?
The InChIKey is ZXEGFJPLCRXGGD-JIPXPUAJSA-N. The full InChI is InChI=1S/C29H32N2O3/c1-4-5-18-28(32)30-21(2)19-27(25-16-9-10-17-26(25)30)31(23-13-7-6-8-14-23)29(33)22-12-11-15-24(20-22)34-3/h6-17,20-21,27H,4-5,18-19H2,1-3H3/t21-,27-/m1/s1.
What are the key properties of 3-methoxy-N-[(2R,4R)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide?
3-methoxy-N-[(2R,4R)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide has a molecular weight of 456.59 g/mol, XLogP of 6.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2R,4R)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide is sourced from PubChem (CID 2302424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).