N-(1H-indol-3-yl)-3,4-dihydro-2H-quinoline-1-carboxamide

C18H17N3O — CID 7616027

IUPACN-(1H-indol-3-yl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(Nc1c[nH]c2ccccc12)N1CCCc2ccccc21
InChIInChI=1S/C18H17N3O/c22-18(20-16-12-19-15-9-3-2-8-14(15)16)21-11-5-7-13-6-1-4-10-17(13)21/h1-4,6,8-10,12,19H,5,7,11H2,(H,20,22)
InChIKeyAGONQRNYJBQTRT-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.15
Rot. Bonds1

About N-(1H-indol-3-yl)-3,4-dihydro-2H-quinoline-1-carboxamide

N-(1H-indol-3-yl)-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 7616027) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(1H-indol-3-yl)-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-3-yl)-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID7616027
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-(1H-indol-3-yl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(Nc1c[nH]c2ccccc12)N1CCCc2ccccc21
InChIInChI=1S/C18H17N3O/c22-18(20-16-12-19-15-9-3-2-8-14(15)16)21-11-5-7-13-6-1-4-10-17(13)21/h1-4,6,8-10,12,19H,5,7,11H2,(H,20,22)
InChIKeyAGONQRNYJBQTRT-UHFFFAOYSA-N
XLogP4.15
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-yl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-(1H-indol-3-yl)-3,4-dihydro-2H-quinoline-1-carboxamide (CID 7616027) is N-(1H-indol-3-yl)-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-(1H-indol-3-yl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-(1H-indol-3-yl)-3,4-dihydro-2H-quinoline-1-carboxamide is O=C(Nc1c[nH]c2ccccc12)N1CCCc2ccccc21.
What is the InChIKey of N-(1H-indol-3-yl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is AGONQRNYJBQTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c22-18(20-16-12-19-15-9-3-2-8-14(15)16)21-11-5-7-13-6-1-4-10-17(13)21/h1-4,6,8-10,12,19H,5,7,11H2,(H,20,22).
What are the key properties of N-(1H-indol-3-yl)-3,4-dihydro-2H-quinoline-1-carboxamide?
N-(1H-indol-3-yl)-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 4.15, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-yl)-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 7616027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).