4-tert-butyl-N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

C30H32N2O3 — CID 2066349

IUPAC4-tert-butyl-N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H32N2O3/c1-6-35-26-15-13-25(14-16-26)32(29(34)21-9-11-24(12-10-21)30(3,4)5)19-23-18-22-8-7-20(2)17-27(22)31-28(23)33/h7-18H,6,19H2,1-5H3,(H,31,33)
InChIKeyDTKGPBPWAHAFKZ-UHFFFAOYSA-N
MW468.60 g/mol
LogP6.38
Rot. Bonds6

About 4-tert-butyl-N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

4-tert-butyl-N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 2066349) has the molecular formula C30H32N2O3 and a molecular weight of 468.60 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID2066349
Molecular FormulaC30H32N2O3
Molecular Weight468.60 g/mol
Exact Mass468.24
IUPAC Name4-tert-butyl-N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H32N2O3/c1-6-35-26-15-13-25(14-16-26)32(29(34)21-9-11-24(12-10-21)30(3,4)5)19-23-18-22-8-7-20(2)17-27(22)31-28(23)33/h7-18H,6,19H2,1-5H3,(H,31,33)
InChIKeyDTKGPBPWAHAFKZ-UHFFFAOYSA-N
XLogP6.38
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 1417601
N-(4-ethoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide
CID 1417965
3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1426956
4-chloro-N-(4-ethoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1388201
N-(4-ethoxyphenyl)-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1418449
4-methyl-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1417676
3,4,5-triethoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)benzamide
CID 1391983
4-chloro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1384915
N-(4-methoxyphenyl)-2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 1420271
4-fluoro-N-(3-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3912150
N-(4-ethoxyphenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 1427665
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitro-N-phenylbenzamide
CID 1424779

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 2066349) is 4-tert-butyl-N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is DTKGPBPWAHAFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O3/c1-6-35-26-15-13-25(14-16-26)32(29(34)21-9-11-24(12-10-21)30(3,4)5)19-23-18-22-8-7-20(2)17-27(22)31-28(23)33/h7-18H,6,19H2,1-5H3,(H,31,33).
What are the key properties of 4-tert-butyl-N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
4-tert-butyl-N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 468.60 g/mol, XLogP of 6.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 2066349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).