N-(3-aminopropyl)-3-(1H-indol-2-yl)-2-oxo-1H-quinoline-6-carboxamide

C21H20N4O2 — CID 46935281

IUPACN-(3-aminopropyl)-3-(1H-indol-2-yl)-2-oxo-1H-quinoline-6-carboxamide
SMILESNCCCNC(=O)c1ccc2[nH]c(=O)c(-c3cc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C21H20N4O2/c22-8-3-9-23-20(26)14-6-7-18-15(10-14)11-16(21(27)25-18)19-12-13-4-1-2-5-17(13)24-19/h1-2,4-7,10-12,24H,3,8-9,22H2,(H,23,26)(H,25,27)
InChIKeyVTAYWHWSGZMAQN-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.76
Rot. Bonds5

About N-(3-aminopropyl)-3-(1H-indol-2-yl)-2-oxo-1H-quinoline-6-carboxamide

N-(3-aminopropyl)-3-(1H-indol-2-yl)-2-oxo-1H-quinoline-6-carboxamide (PubChem CID 46935281) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(1H-indol-2-yl)-2-oxo-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(1H-indol-2-yl)-2-oxo-1H-quinoline-6-carboxamide
PubChem CID46935281
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-(3-aminopropyl)-3-(1H-indol-2-yl)-2-oxo-1H-quinoline-6-carboxamide
SMILESNCCCNC(=O)c1ccc2[nH]c(=O)c(-c3cc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C21H20N4O2/c22-8-3-9-23-20(26)14-6-7-18-15(10-14)11-16(21(27)25-18)19-12-13-4-1-2-5-17(13)24-19/h1-2,4-7,10-12,24H,3,8-9,22H2,(H,23,26)(H,25,27)
InChIKeyVTAYWHWSGZMAQN-UHFFFAOYSA-N
XLogP2.76
TPSA103.77 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)naphthalene-2-carboxamide
CID 24691516
3-(5-amino-1H-indol-2-yl)-1H-quinolin-2-one
CID 22668309
3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 174398264
3-[5-(methylaminomethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 142218394
4-[3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]amino]butanoyl]morpholine-3-carboxylic acid
CID 11329804
[1-[2-(2-oxo-1H-quinolin-3-yl)-1H-indole-5-carbonyl]pyrrolidin-3-yl]azanium
CID 20696588
3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 10131514
N-(3-aminopropyl)-5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride
CID 42606475
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-(3-aminopropyl)-4-(1H-benzo[f]benzimidazol-2-yl)-3-bromobenzamide
CID 21100790
2-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]acetonitrile
CID 22668287
N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide
CID 110325649

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(1H-indol-2-yl)-2-oxo-1H-quinoline-6-carboxamide?
The IUPAC name of N-(3-aminopropyl)-3-(1H-indol-2-yl)-2-oxo-1H-quinoline-6-carboxamide (CID 46935281) is N-(3-aminopropyl)-3-(1H-indol-2-yl)-2-oxo-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-3-(1H-indol-2-yl)-2-oxo-1H-quinoline-6-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-3-(1H-indol-2-yl)-2-oxo-1H-quinoline-6-carboxamide is NCCCNC(=O)c1ccc2[nH]c(=O)c(-c3cc4ccccc4[nH]3)cc2c1.
What is the InChIKey of N-(3-aminopropyl)-3-(1H-indol-2-yl)-2-oxo-1H-quinoline-6-carboxamide?
The InChIKey is VTAYWHWSGZMAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c22-8-3-9-23-20(26)14-6-7-18-15(10-14)11-16(21(27)25-18)19-12-13-4-1-2-5-17(13)24-19/h1-2,4-7,10-12,24H,3,8-9,22H2,(H,23,26)(H,25,27).
What are the key properties of N-(3-aminopropyl)-3-(1H-indol-2-yl)-2-oxo-1H-quinoline-6-carboxamide?
N-(3-aminopropyl)-3-(1H-indol-2-yl)-2-oxo-1H-quinoline-6-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(1H-indol-2-yl)-2-oxo-1H-quinoline-6-carboxamide is sourced from PubChem (CID 46935281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).