2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylic acid

C18H12N2O4 — CID 164866707

IUPAC2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylic acid
SMILESO=C(O)c1cccc2cc(Cn3ccc4ccncc4c3=O)oc12
InChIInChI=1S/C18H12N2O4/c21-17-15-9-19-6-4-11(15)5-7-20(17)10-13-8-12-2-1-3-14(18(22)23)16(12)24-13/h1-9H,10H2,(H,22,23)
InChIKeyKMVIDVBQYZOOIP-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.89
Rot. Bonds3

About 2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylic acid

2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylic acid (PubChem CID 164866707) has the molecular formula C18H12N2O4 and a molecular weight of 320.30 g/mol. Its IUPAC name is 2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylic acid.

Molecular Properties

Compound Name2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylic acid
PubChem CID164866707
Molecular FormulaC18H12N2O4
Molecular Weight320.30 g/mol
Exact Mass320.08
IUPAC Name2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylic acid
SMILESO=C(O)c1cccc2cc(Cn3ccc4ccncc4c3=O)oc12
InChIInChI=1S/C18H12N2O4/c21-17-15-9-19-6-4-11(15)5-7-20(17)10-13-8-12-2-1-3-14(18(22)23)16(12)24-13/h1-9H,10H2,(H,22,23)
InChIKeyKMVIDVBQYZOOIP-UHFFFAOYSA-N
XLogP2.89
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-(4-(1-(furan-2-ylmethyl)-1H-indol-3-yl)piperidin-1-yl)ethoxy)benzoic acid
CID 10138404
1-((6-(5-Cyclohexylbenzofuran-2-yl)pyridin-3-yl)methyl)azetidine-3-carboxylic acid
CID 16737509
3-[[[(1R)-1-(5-methylfuran-2-yl)propyl]-(quinoline-3-carbonyl)amino]methyl]benzoic acid
CID 68288253
2-(Furan-2-ylmethyl)-1-(pyridin-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 665746
5-Chloro-2-[(1,6-naphthyridine-8-carbonylamino)methyl]-1-benzofuran-7-carboxylic acid
CID 164866457
methyl 2-[(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)methyl]-1-benzofuran-7-carboxylate
CID 164675036
methyl 4-[(3E)-1-[2-(1-benzofuran-3-yl)ethyl]-3-[hydroxy(pyridin-3-yl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate
CID 90671306
2-[4-[8-(6-Methoxy-3-pyridinyl)-2-oxo-[1]benzofuro[3,2-b]pyridin-1-yl]anilino]acetic acid
CID 145985029
Azane;2-hydroxy-5-[5-[(pyridin-3-ylmethylamino)methyl]furan-2-yl]benzoic acid
CID 168272841
N-ethyl-3-methyl-5-propyl-N-(4-pyridinylmethyl)-1-benzofuran-2-carboxamide
CID 70722646
(Z)-3-(5-phenyl-2-furyl)-2-(pyridine-3-carbonylamino)prop-2-enoic Acid
CID 10042490
3-[[(3-Methyl-1-benzofuran-2-yl)methyl](pyridin-3-ylmethyl)amino]propan-1-ol
CID 91836564

Frequently Asked Questions

What is the IUPAC name of 2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylic acid?
The IUPAC name of 2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylic acid (CID 164866707) is 2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylic acid.
What is the SMILES notation for 2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylic acid?
The canonical SMILES for 2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylic acid is O=C(O)c1cccc2cc(Cn3ccc4ccncc4c3=O)oc12.
What is the InChIKey of 2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylic acid?
The InChIKey is KMVIDVBQYZOOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O4/c21-17-15-9-19-6-4-11(15)5-7-20(17)10-13-8-12-2-1-3-14(18(22)23)16(12)24-13/h1-9H,10H2,(H,22,23).
What are the key properties of 2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylic acid?
2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylic acid has a molecular weight of 320.30 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylic acid is sourced from PubChem (CID 164866707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).