ethane;N-(1-methoxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylbenzamide

C26H30N2O2 — CID 142906233

IUPACethane;N-(1-methoxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylbenzamide
SMILESCC.CON1c2ccccc2C(N(C(=O)c2ccccc2)c2ccccc2)CC1C
InChIInChI=1S/C24H24N2O2.C2H6/c1-18-17-23(21-15-9-10-16-22(21)26(18)28-2)25(20-13-7-4-8-14-20)24(27)19-11-5-3-6-12-19;1-2/h3-16,18,23H,17H2,1-2H3;1-2H3
InChIKeyCVACZOGMJRXLRK-UHFFFAOYSA-N
MW402.54 g/mol
LogP6.26
Rot. Bonds4

About ethane;N-(1-methoxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylbenzamide

ethane;N-(1-methoxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylbenzamide (PubChem CID 142906233) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is ethane;N-(1-methoxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylbenzamide.

Molecular Properties

Compound Nameethane;N-(1-methoxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylbenzamide
PubChem CID142906233
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Nameethane;N-(1-methoxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylbenzamide
SMILESCC.CON1c2ccccc2C(N(C(=O)c2ccccc2)c2ccccc2)CC1C
InChIInChI=1S/C24H24N2O2.C2H6/c1-18-17-23(21-15-9-10-16-22(21)26(18)28-2)25(20-13-7-4-8-14-20)24(27)19-11-5-3-6-12-19;1-2/h3-16,18,23H,17H2,1-2H3;1-2H3
InChIKeyCVACZOGMJRXLRK-UHFFFAOYSA-N
XLogP6.26
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
CID 1315658
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-[1-[3-(4-methoxyphenyl)prop-2-enoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
CID 3108035
3-methoxy-N-[(2R,4R)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
CID 2302424
4-fluoro-N-[(2R,4R)-2-methyl-1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
CID 6555961
2-methoxy-N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
CID 45146591
N-[(2S,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-nitrophenyl)benzamide
CID 40901409
N-[(2R,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(3-nitrophenyl)benzamide
CID 1151170
3-(N-[(2S,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]anilino)-3-oxopropanoic acid
CID 69427262
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3,5-dinitro-N-phenylbenzamide
CID 1421350
N-[(2S,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 7097678

Frequently Asked Questions

What is the IUPAC name of ethane;N-(1-methoxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylbenzamide?
The IUPAC name of ethane;N-(1-methoxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylbenzamide (CID 142906233) is ethane;N-(1-methoxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylbenzamide.
What is the SMILES notation for ethane;N-(1-methoxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylbenzamide?
The canonical SMILES for ethane;N-(1-methoxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylbenzamide is CC.CON1c2ccccc2C(N(C(=O)c2ccccc2)c2ccccc2)CC1C.
What is the InChIKey of ethane;N-(1-methoxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylbenzamide?
The InChIKey is CVACZOGMJRXLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2.C2H6/c1-18-17-23(21-15-9-10-16-22(21)26(18)28-2)25(20-13-7-4-8-14-20)24(27)19-11-5-3-6-12-19;1-2/h3-16,18,23H,17H2,1-2H3;1-2H3.
What are the key properties of ethane;N-(1-methoxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylbenzamide?
ethane;N-(1-methoxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylbenzamide has a molecular weight of 402.54 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(1-methoxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylbenzamide is sourced from PubChem (CID 142906233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).