propyl 4-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]benzoate

C27H24N2O3 — CID 3482413

IUPACpropyl 4-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C27H24N2O3/c1-3-17-32-27(31)20-13-15-21(16-14-20)28-26(30)24-18(2)25(19-9-5-4-6-10-19)29-23-12-8-7-11-22(23)24/h4-16H,3,17H2,1-2H3,(H,28,30)
InChIKeyHRJRYSNNNXKDRB-UHFFFAOYSA-N
MW424.50 g/mol
LogP6.03
Rot. Bonds6

About propyl 4-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]benzoate

propyl 4-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]benzoate (PubChem CID 3482413) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is propyl 4-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]benzoate
PubChem CID3482413
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Namepropyl 4-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C27H24N2O3/c1-3-17-32-27(31)20-13-15-21(16-14-20)28-26(30)24-18(2)25(19-9-5-4-6-10-19)29-23-12-8-7-11-22(23)24/h4-16H,3,17H2,1-2H3,(H,28,30)
InChIKeyHRJRYSNNNXKDRB-UHFFFAOYSA-N
XLogP6.03
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid
CID 3395284
N-(4-acetylphenyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1312279
3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide
CID 3540473
N-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4608973
N-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide
CID 3417174
ethyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]acetate
CID 4525423
3-methyl-2-(4-methylphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4642101
propyl 4-(pyridine-2-carbonylamino)benzoate
CID 17353106
ethyl 5-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
CID 4227534
2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4115326
ethyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 5057456
(2-benzamido-2-oxoethyl) 3-methyl-2-phenylquinoline-4-carboxylate
CID 41499799

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]benzoate?
The IUPAC name of propyl 4-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]benzoate (CID 3482413) is propyl 4-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]benzoate.
What is the SMILES notation for propyl 4-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]benzoate?
The canonical SMILES for propyl 4-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of propyl 4-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]benzoate?
The InChIKey is HRJRYSNNNXKDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-3-17-32-27(31)20-13-15-21(16-14-20)28-26(30)24-18(2)25(19-9-5-4-6-10-19)29-23-12-8-7-11-22(23)24/h4-16H,3,17H2,1-2H3,(H,28,30).
What are the key properties of propyl 4-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]benzoate?
propyl 4-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]benzoate has a molecular weight of 424.50 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]benzoate is sourced from PubChem (CID 3482413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).