N-(1-acetyl-2,3-dihydroindol-5-yl)quinoline-2-carboxamide

C20H17N3O2 — CID 17453567

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)quinoline-2-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)c3ccc4ccccc4n3)ccc21
InChIInChI=1S/C20H17N3O2/c1-13(24)23-11-10-15-12-16(7-9-19(15)23)21-20(25)18-8-6-14-4-2-3-5-17(14)22-18/h2-9,12H,10-11H2,1H3,(H,21,25)
InChIKeyVACLPDPPDLIDDR-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.40
Rot. Bonds2

About N-(1-acetyl-2,3-dihydroindol-5-yl)quinoline-2-carboxamide

N-(1-acetyl-2,3-dihydroindol-5-yl)quinoline-2-carboxamide (PubChem CID 17453567) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)quinoline-2-carboxamide
PubChem CID17453567
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)quinoline-2-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)c3ccc4ccccc4n3)ccc21
InChIInChI=1S/C20H17N3O2/c1-13(24)23-11-10-15-12-16(7-9-19(15)23)21-20(25)18-8-6-14-4-2-3-5-17(14)22-18/h2-9,12H,10-11H2,1H3,(H,21,25)
InChIKeyVACLPDPPDLIDDR-UHFFFAOYSA-N
XLogP3.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 30494390
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
CID 18193397
N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80617967
N-(4-acetyl-3-methylphenyl)quinoline-2-carboxamide;methane
CID 161338496
N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
CID 18205048
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 51205594
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,3-benzothiazol-2-yl)propanamide
CID 30494500
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-dimethylbenzamide
CID 42424076
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-chlorophenyl)thiourea
CID 2727568
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea
CID 18101699

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)quinoline-2-carboxamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)quinoline-2-carboxamide (CID 17453567) is N-(1-acetyl-2,3-dihydroindol-5-yl)quinoline-2-carboxamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)quinoline-2-carboxamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)quinoline-2-carboxamide is CC(=O)N1CCc2cc(NC(=O)c3ccc4ccccc4n3)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)quinoline-2-carboxamide?
The InChIKey is VACLPDPPDLIDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-13(24)23-11-10-15-12-16(7-9-19(15)23)21-20(25)18-8-6-14-4-2-3-5-17(14)22-18/h2-9,12H,10-11H2,1H3,(H,21,25).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)quinoline-2-carboxamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)quinoline-2-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)quinoline-2-carboxamide is sourced from PubChem (CID 17453567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).