2-[7-methoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-phenylethyl)acetamide

C28H29N3O3 — CID 16956575

IUPAC2-[7-methoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCOc1ccc2cc(CNc3ccc(C)cc3)c(=O)n(CC(=O)NCCc3ccccc3)c2c1
InChIInChI=1S/C28H29N3O3/c1-20-8-11-24(12-9-20)30-18-23-16-22-10-13-25(34-2)17-26(22)31(28(23)33)19-27(32)29-15-14-21-6-4-3-5-7-21/h3-13,16-17,30H,14-15,18-19H2,1-2H3,(H,29,32)
InChIKeyDQRPNVCAEFSIEZ-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.29
Rot. Bonds9

About 2-[7-methoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-phenylethyl)acetamide

2-[7-methoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 16956575) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is 2-[7-methoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[7-methoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID16956575
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC Name2-[7-methoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCOc1ccc2cc(CNc3ccc(C)cc3)c(=O)n(CC(=O)NCCc3ccccc3)c2c1
InChIInChI=1S/C28H29N3O3/c1-20-8-11-24(12-9-20)30-18-23-16-22-10-13-25(34-2)17-26(22)31(28(23)33)19-27(32)29-15-14-21-6-4-3-5-7-21/h3-13,16-17,30H,14-15,18-19H2,1-2H3,(H,29,32)
InChIKeyDQRPNVCAEFSIEZ-UHFFFAOYSA-N
XLogP4.29
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 16956547
2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]acetamide
CID 20922056
2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 161123821
N-[(4-fluorophenyl)methyl]-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide
CID 158903832
N-(3-chloro-4-methylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
CID 157137286
N-(4-ethylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
CID 161418456
2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 160535192
N-(3-ethylphenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide
CID 158474713
2-[3-[(3,4-dimethoxyanilino)methyl]-7-methyl-2-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 18592297
N-(3,4-difluorophenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide
CID 159042001
2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 20922007
2-[8-(anilinomethyl)-7-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(4-methoxyphenyl)acetamide
CID 18591671

Frequently Asked Questions

What is the IUPAC name of 2-[7-methoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[7-methoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-phenylethyl)acetamide (CID 16956575) is 2-[7-methoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[7-methoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[7-methoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-phenylethyl)acetamide is COc1ccc2cc(CNc3ccc(C)cc3)c(=O)n(CC(=O)NCCc3ccccc3)c2c1.
What is the InChIKey of 2-[7-methoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is DQRPNVCAEFSIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-20-8-11-24(12-9-20)30-18-23-16-22-10-13-25(34-2)17-26(22)31(28(23)33)19-27(32)29-15-14-21-6-4-3-5-7-21/h3-13,16-17,30H,14-15,18-19H2,1-2H3,(H,29,32).
What are the key properties of 2-[7-methoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-phenylethyl)acetamide?
2-[7-methoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 455.56 g/mol, XLogP of 4.29, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 16956575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).