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

C32H30N2O4 — CID 45146591

IUPAC2-methoxy-N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
SMILESCOc1ccccc1C(=O)N1c2ccccc2C(N(C(=O)c2ccccc2OC)c2ccccc2)CC1C
InChIInChI=1S/C32H30N2O4/c1-22-21-28(34(23-13-5-4-6-14-23)32(36)26-17-9-12-20-30(26)38-3)24-15-7-10-18-27(24)33(22)31(35)25-16-8-11-19-29(25)37-2/h4-20,22,28H,21H2,1-3H3
InChIKeyBPNUJCVHTYGZLJ-UHFFFAOYSA-N
MW506.60 g/mol
LogP6.53
Rot. Bonds6

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

2-methoxy-N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide (PubChem CID 45146591) has the molecular formula C32H30N2O4 and a molecular weight of 506.60 g/mol. Its IUPAC name is 2-methoxy-N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
PubChem CID45146591
Molecular FormulaC32H30N2O4
Molecular Weight506.60 g/mol
Exact Mass506.22
IUPAC Name2-methoxy-N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
SMILESCOc1ccccc1C(=O)N1c2ccccc2C(N(C(=O)c2ccccc2OC)c2ccccc2)CC1C
InChIInChI=1S/C32H30N2O4/c1-22-21-28(34(23-13-5-4-6-14-23)32(36)26-17-9-12-20-30(26)38-3)24-15-7-10-18-27(24)33(22)31(35)25-16-8-11-19-29(25)37-2/h4-20,22,28H,21H2,1-3H3
InChIKeyBPNUJCVHTYGZLJ-UHFFFAOYSA-N
XLogP6.53
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.60
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-methyl-N-phenylbenzenesulfonamide
CID 3757061
N-[(2R,4S)-1-(2-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 2306858
N-[(2R,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-methoxy-N-phenylbenzamide
CID 2319886
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-methoxy-N-phenylbenzamide
CID 1041001
N-[(2S,4R)-1-(2-chloropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 87830961
N-[(2S,4S)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylthiophene-2-carboxamide
CID 1108479
N-[(2S,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 7097678
N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
CID 1315658
3-(N-[(2S,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]anilino)-3-oxopropanoic acid
CID 69427262
N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 19576143
ethane;N-(1-methoxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylbenzamide
CID 142906233
(E)-4-(N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)anilino)-4-oxobut-2-enoic acid
CID 46879132

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide?
The IUPAC name of 2-methoxy-N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide (CID 45146591) is 2-methoxy-N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide.
What is the SMILES notation for 2-methoxy-N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide?
The canonical SMILES for 2-methoxy-N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide is COc1ccccc1C(=O)N1c2ccccc2C(N(C(=O)c2ccccc2OC)c2ccccc2)CC1C.
What is the InChIKey of 2-methoxy-N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide?
The InChIKey is BPNUJCVHTYGZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O4/c1-22-21-28(34(23-13-5-4-6-14-23)32(36)26-17-9-12-20-30(26)38-3)24-15-7-10-18-27(24)33(22)31(35)25-16-8-11-19-29(25)37-2/h4-20,22,28H,21H2,1-3H3.
What are the key properties of 2-methoxy-N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide?
2-methoxy-N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide has a molecular weight of 506.60 g/mol, XLogP of 6.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide is sourced from PubChem (CID 45146591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).