N-[3-(2,3-dihydroindol-1-yl)propyl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide

C21H20FN3O2 — CID 74248010

IUPACN-[3-(2,3-dihydroindol-1-yl)propyl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NCCCN1CCc2ccccc21)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C21H20FN3O2/c22-15-6-7-16-17(13-20(26)24-18(16)12-15)21(27)23-9-3-10-25-11-8-14-4-1-2-5-19(14)25/h1-2,4-7,12-13H,3,8-11H2,(H,23,27)(H,24,26)
InChIKeyPDHHDOAXYOBMMN-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.85
Rot. Bonds5

About N-[3-(2,3-dihydroindol-1-yl)propyl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide

N-[3-(2,3-dihydroindol-1-yl)propyl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 74248010) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)propyl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)propyl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide
PubChem CID74248010
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)propyl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NCCCN1CCc2ccccc21)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C21H20FN3O2/c22-15-6-7-16-17(13-20(26)24-18(16)12-15)21(27)23-9-3-10-25-11-8-14-4-1-2-5-19(14)25/h1-2,4-7,12-13H,3,8-11H2,(H,23,27)(H,24,26)
InChIKeyPDHHDOAXYOBMMN-UHFFFAOYSA-N
XLogP2.85
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide
CID 42992469
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-fluorobenzamide
CID 112501997
N-[3-(2,3-dihydroindol-1-yl)propyl]-1H-indazole-3-carboxamide
CID 38464745
5-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylbenzamide
CID 120642594
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide
CID 119851205
(2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-fluorophenoxy)butanamide
CID 94016366
2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 36717956
3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
3-bromo-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-fluorobenzamide
CID 110620208
N-(2-amino-2-ethylbutyl)-7-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 119641077
N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide
CID 61251337
4-[3-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-7-fluoro-1H-quinolin-2-one
CID 167770409

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide (CID 74248010) is N-[3-(2,3-dihydroindol-1-yl)propyl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)propyl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)propyl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide is O=C(NCCCN1CCc2ccccc21)c1cc(=O)[nH]c2cc(F)ccc12.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)propyl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is PDHHDOAXYOBMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-15-6-7-16-17(13-20(26)24-18(16)12-15)21(27)23-9-3-10-25-11-8-14-4-1-2-5-19(14)25/h1-2,4-7,12-13H,3,8-11H2,(H,23,27)(H,24,26).
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)propyl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide?
N-[3-(2,3-dihydroindol-1-yl)propyl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)propyl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 74248010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).