N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide

C25H21N3O2 — CID 55880912

IUPACN-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2ccc(N3CCc4ccccc43)cc2)c2ccccc21
InChIInChI=1S/C25H21N3O2/c1-27-23-9-5-3-7-20(23)21(16-24(27)29)25(30)26-18-10-12-19(13-11-18)28-15-14-17-6-2-4-8-22(17)28/h2-13,16H,14-15H2,1H3,(H,26,30)
InChIKeyBUHKKJZTKNYECE-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.49
Rot. Bonds3

About N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide

N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 55880912) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
PubChem CID55880912
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC NameN-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2ccc(N3CCc4ccccc43)cc2)c2ccccc21
InChIInChI=1S/C25H21N3O2/c1-27-23-9-5-3-7-20(23)21(16-24(27)29)25(30)26-18-10-12-19(13-11-18)28-15-14-17-6-2-4-8-22(17)28/h2-13,16H,14-15H2,1H3,(H,26,30)
InChIKeyBUHKKJZTKNYECE-UHFFFAOYSA-N
XLogP4.49
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide
CID 55909182
N-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 91822577
N-[4-(dimethylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694551
N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55882184
1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 138583118
N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694528
N-[4-(2,3-dihydroindol-1-yl)phenyl]-3-fluorobenzamide
CID 112986182
N-[4-(2,3-dihydroindol-1-yl)phenyl]-4,5-dimethoxy-2-nitrobenzamide
CID 55882312
N-[4-(2-chlorophenoxy)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55759235
1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide
CID 55787470
1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-4-carboxamide
CID 131902181
N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-ethylbutanamide
CID 112986176

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide (CID 55880912) is N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide is Cn1c(=O)cc(C(=O)Nc2ccc(N3CCc4ccccc43)cc2)c2ccccc21.
What is the InChIKey of N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is BUHKKJZTKNYECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-27-23-9-5-3-7-20(23)21(16-24(27)29)25(30)26-18-10-12-19(13-11-18)28-15-14-17-6-2-4-8-22(17)28/h2-13,16H,14-15H2,1H3,(H,26,30).
What are the key properties of N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide?
N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 55880912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).