8-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carbonyl)-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide

C21H21N3O3 — CID 167856791

IUPAC8-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carbonyl)-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide
SMILESNC(=O)c1ccc2c(n1)N(C(=O)c1ccc3c(c1)CCCCC3=O)CCC2
InChIInChI=1S/C21H21N3O3/c22-19(26)17-10-8-13-5-3-11-24(20(13)23-17)21(27)15-7-9-16-14(12-15)4-1-2-6-18(16)25/h7-10,12H,1-6,11H2,(H2,22,26)
InChIKeyFQIVXLKFDGWTBB-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.68
Rot. Bonds2

About 8-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carbonyl)-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide

8-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carbonyl)-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide (PubChem CID 167856791) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 8-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carbonyl)-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carbonyl)-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide
PubChem CID167856791
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name8-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carbonyl)-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide
SMILESNC(=O)c1ccc2c(n1)N(C(=O)c1ccc3c(c1)CCCCC3=O)CCC2
InChIInChI=1S/C21H21N3O3/c22-19(26)17-10-8-13-5-3-11-24(20(13)23-17)21(27)15-7-9-16-14(12-15)4-1-2-6-18(16)25/h7-10,12H,1-6,11H2,(H2,22,26)
InChIKeyFQIVXLKFDGWTBB-UHFFFAOYSA-N
XLogP2.68
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carbonyl)-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide?
The IUPAC name of 8-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carbonyl)-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide (CID 167856791) is 8-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carbonyl)-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carbonyl)-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide?
The canonical SMILES for 8-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carbonyl)-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide is NC(=O)c1ccc2c(n1)N(C(=O)c1ccc3c(c1)CCCCC3=O)CCC2.
What is the InChIKey of 8-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carbonyl)-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide?
The InChIKey is FQIVXLKFDGWTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c22-19(26)17-10-8-13-5-3-11-24(20(13)23-17)21(27)15-7-9-16-14(12-15)4-1-2-6-18(16)25/h7-10,12H,1-6,11H2,(H2,22,26).
What are the key properties of 8-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carbonyl)-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide?
8-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carbonyl)-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carbonyl)-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide is sourced from PubChem (CID 167856791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).