5-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)pyrrolidin-2-one

C16H16N4O2 — CID 163351885

IUPAC5-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCc3nc4ncccc4cc3C2)N1
InChIInChI=1S/C16H16N4O2/c21-14-4-3-13(18-14)16(22)20-7-5-12-11(9-20)8-10-2-1-6-17-15(10)19-12/h1-2,6,8,13H,3-5,7,9H2,(H,18,21)
InChIKeyMMQNSBWXSPPFEB-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.79
Rot. Bonds1

About 5-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)pyrrolidin-2-one

5-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)pyrrolidin-2-one (PubChem CID 163351885) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)pyrrolidin-2-one
PubChem CID163351885
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name5-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCc3nc4ncccc4cc3C2)N1
InChIInChI=1S/C16H16N4O2/c21-14-4-3-13(18-14)16(22)20-7-5-12-11(9-20)8-10-2-1-6-17-15(10)19-12/h1-2,6,8,13H,3-5,7,9H2,(H,18,21)
InChIKeyMMQNSBWXSPPFEB-UHFFFAOYSA-N
XLogP0.79
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)pyrrolidin-2-one?
The IUPAC name of 5-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)pyrrolidin-2-one (CID 163351885) is 5-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 5-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)pyrrolidin-2-one is O=C1CCC(C(=O)N2CCc3nc4ncccc4cc3C2)N1.
What is the InChIKey of 5-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)pyrrolidin-2-one?
The InChIKey is MMQNSBWXSPPFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-14-4-3-13(18-14)16(22)20-7-5-12-11(9-20)8-10-2-1-6-17-15(10)19-12/h1-2,6,8,13H,3-5,7,9H2,(H,18,21).
What are the key properties of 5-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)pyrrolidin-2-one?
5-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)pyrrolidin-2-one has a molecular weight of 296.33 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 163351885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).