N-(2,3-dihydro-1-benzofuran-5-yl)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide

C18H15N3O3 — CID 60507136

IUPACN-(2,3-dihydro-1-benzofuran-5-yl)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide
SMILESCc1ccc2c(=O)c(C(=O)Nc3ccc4c(c3)CCO4)c[nH]c2n1
InChIInChI=1S/C18H15N3O3/c1-10-2-4-13-16(22)14(9-19-17(13)20-10)18(23)21-12-3-5-15-11(8-12)6-7-24-15/h2-5,8-9H,6-7H2,1H3,(H,21,23)(H,19,20,22)
InChIKeyHQQOLCCTQCNLLG-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.42
Rot. Bonds2

About N-(2,3-dihydro-1-benzofuran-5-yl)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide

N-(2,3-dihydro-1-benzofuran-5-yl)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide (PubChem CID 60507136) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-yl)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-yl)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide
PubChem CID60507136
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-yl)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide
SMILESCc1ccc2c(=O)c(C(=O)Nc3ccc4c(c3)CCO4)c[nH]c2n1
InChIInChI=1S/C18H15N3O3/c1-10-2-4-13-16(22)14(9-19-17(13)20-10)18(23)21-12-3-5-15-11(8-12)6-7-24-15/h2-5,8-9H,6-7H2,1H3,(H,21,23)(H,19,20,22)
InChIKeyHQQOLCCTQCNLLG-UHFFFAOYSA-N
XLogP2.42
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide (CID 60507136) is N-(2,3-dihydro-1-benzofuran-5-yl)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-yl)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-yl)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide is Cc1ccc2c(=O)c(C(=O)Nc3ccc4c(c3)CCO4)c[nH]c2n1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-yl)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide?
The InChIKey is HQQOLCCTQCNLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-10-2-4-13-16(22)14(9-19-17(13)20-10)18(23)21-12-3-5-15-11(8-12)6-7-24-15/h2-5,8-9H,6-7H2,1H3,(H,21,23)(H,19,20,22).
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-yl)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide?
N-(2,3-dihydro-1-benzofuran-5-yl)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-yl)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 60507136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).