N-(3-ethyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide

C20H17N3O2 — CID 66674857

IUPACN-(3-ethyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCCc1c[nH]c2cc(NC(=O)c3c[nH]c4ccccc4c3=O)ccc12
InChIInChI=1S/C20H17N3O2/c1-2-12-10-21-18-9-13(7-8-14(12)18)23-20(25)16-11-22-17-6-4-3-5-15(17)19(16)24/h3-11,21H,2H2,1H3,(H,22,24)(H,23,25)
InChIKeyNWYOSVXSTCFCQR-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.82
Rot. Bonds3

About N-(3-ethyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide

N-(3-ethyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 66674857) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(3-ethyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID66674857
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-(3-ethyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCCc1c[nH]c2cc(NC(=O)c3c[nH]c4ccccc4c3=O)ccc12
InChIInChI=1S/C20H17N3O2/c1-2-12-10-21-18-9-13(7-8-14(12)18)23-20(25)16-11-22-17-6-4-3-5-15(17)19(16)24/h3-11,21H,2H2,1H3,(H,22,24)(H,23,25)
InChIKeyNWYOSVXSTCFCQR-UHFFFAOYSA-N
XLogP3.82
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(3-ethyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide (CID 66674857) is N-(3-ethyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(3-ethyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(3-ethyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide is CCc1c[nH]c2cc(NC(=O)c3c[nH]c4ccccc4c3=O)ccc12.
What is the InChIKey of N-(3-ethyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is NWYOSVXSTCFCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-2-12-10-21-18-9-13(7-8-14(12)18)23-20(25)16-11-22-17-6-4-3-5-15(17)19(16)24/h3-11,21H,2H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(3-ethyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide?
N-(3-ethyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 3.82, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 66674857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).