N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)-N-propan-2-ylquinoline-4-carboxamide

C23H25N3O2 — CID 112794088

IUPACN-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)-N-propan-2-ylquinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(CC(N)=O)C(C)C)c3ccccc3n2)c(C)c1
InChIInChI=1S/C23H25N3O2/c1-14(2)26(13-22(24)27)23(28)19-12-21(17-10-9-15(3)11-16(17)4)25-20-8-6-5-7-18(19)20/h5-12,14H,13H2,1-4H3,(H2,24,27)
InChIKeyVQWVEMOUBLEIQY-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.85
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)-N-propan-2-ylquinoline-4-carboxamide

N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)-N-propan-2-ylquinoline-4-carboxamide (PubChem CID 112794088) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)-N-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)-N-propan-2-ylquinoline-4-carboxamide
PubChem CID112794088
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)-N-propan-2-ylquinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(CC(N)=O)C(C)C)c3ccccc3n2)c(C)c1
InChIInChI=1S/C23H25N3O2/c1-14(2)26(13-22(24)27)23(28)19-12-21(17-10-9-15(3)11-16(17)4)25-20-8-6-5-7-18(19)20/h5-12,14H,13H2,1-4H3,(H2,24,27)
InChIKeyVQWVEMOUBLEIQY-UHFFFAOYSA-N
XLogP3.85
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenyl)-N,N-bis(2-methylpropyl)quinoline-4-carboxamide
CID 4119732
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 55400967
N-(diaminomethylidene)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 19955910
[2-(carbamoylamino)-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 42971764
N,N-dicyclohexyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4176250
2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4178944
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 16544043
2-(2,4-dimethylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide
CID 845043
2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide
CID 4613424
2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3129381
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4985663
2-amino-N-ethyl-N-propan-2-ylquinoline-4-carboxamide
CID 62154240

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)-N-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)-N-propan-2-ylquinoline-4-carboxamide (CID 112794088) is N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)-N-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)-N-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)-N-propan-2-ylquinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)N(CC(N)=O)C(C)C)c3ccccc3n2)c(C)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)-N-propan-2-ylquinoline-4-carboxamide?
The InChIKey is VQWVEMOUBLEIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-14(2)26(13-22(24)27)23(28)19-12-21(17-10-9-15(3)11-16(17)4)25-20-8-6-5-7-18(19)20/h5-12,14H,13H2,1-4H3,(H2,24,27).
What are the key properties of N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)-N-propan-2-ylquinoline-4-carboxamide?
N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)-N-propan-2-ylquinoline-4-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)-N-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 112794088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).