5-amino-1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)-2-oxoquinoline-3-carboxamide

C22H25N3O3 — CID 134146630

IUPAC5-amino-1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
SMILESCOc1ccc(Cn2c(=O)c(C(=O)NCC(C)C)cc3c(N)cccc32)cc1
InChIInChI=1S/C22H25N3O3/c1-14(2)12-24-21(26)18-11-17-19(23)5-4-6-20(17)25(22(18)27)13-15-7-9-16(28-3)10-8-15/h4-11,14H,12-13,23H2,1-3H3,(H,24,26)
InChIKeyLBQIVSLRSQXHJR-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.03
Rot. Bonds6

About 5-amino-1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)-2-oxoquinoline-3-carboxamide

5-amino-1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)-2-oxoquinoline-3-carboxamide (PubChem CID 134146630) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-amino-1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name5-amino-1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
PubChem CID134146630
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name5-amino-1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
SMILESCOc1ccc(Cn2c(=O)c(C(=O)NCC(C)C)cc3c(N)cccc32)cc1
InChIInChI=1S/C22H25N3O3/c1-14(2)12-24-21(26)18-11-17-19(23)5-4-6-20(17)25(22(18)27)13-15-7-9-16(28-3)10-8-15/h4-11,14H,12-13,23H2,1-3H3,(H,24,26)
InChIKeyLBQIVSLRSQXHJR-UHFFFAOYSA-N
XLogP3.03
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 123844752
5-amino-1-[(4-methoxyphenyl)methyl]quinolin-2-one
CID 118001654
N-[2-(4-bromophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 142731963
4-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039256
5-[[2-(4-chlorophenoxy)acetyl]amino]-1-[(4-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-2-oxoquinoline-3-carboxamide
CID 122224566
6-(4-methoxyphenyl)-N-(2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491158
methyl 5-nitro-2-oxo-1-[(4-propan-2-ylphenyl)methyl]quinoline-3-carboxylate
CID 134144805
1-[2-(4-methoxyphenyl)ethyl]-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-N-(2-methylpropyl)pyrrole-3-carboxamide
CID 4204291
3-benzyl-2-[(3-methoxyphenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide
CID 46360997
5-hydrazinyl-1-[(4-methoxyphenyl)methyl]quinolin-2-one
CID 118001666
3-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067421
3-hydroxy-4-(3-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one
CID 101462188

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)-2-oxoquinoline-3-carboxamide?
The IUPAC name of 5-amino-1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)-2-oxoquinoline-3-carboxamide (CID 134146630) is 5-amino-1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 5-amino-1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 5-amino-1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)-2-oxoquinoline-3-carboxamide is COc1ccc(Cn2c(=O)c(C(=O)NCC(C)C)cc3c(N)cccc32)cc1.
What is the InChIKey of 5-amino-1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)-2-oxoquinoline-3-carboxamide?
The InChIKey is LBQIVSLRSQXHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14(2)12-24-21(26)18-11-17-19(23)5-4-6-20(17)25(22(18)27)13-15-7-9-16(28-3)10-8-15/h4-11,14H,12-13,23H2,1-3H3,(H,24,26).
What are the key properties of 5-amino-1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)-2-oxoquinoline-3-carboxamide?
5-amino-1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)-2-oxoquinoline-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 134146630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).