1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone

C17H13ClN2O2 — CID 90444039

IUPAC1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2cc(OCc3cccc(Cl)c3)cnc2c1
InChIInChI=1S/C17H13ClN2O2/c1-11(21)13-6-16-17(19-8-13)7-15(9-20-16)22-10-12-3-2-4-14(18)5-12/h2-9H,10H2,1H3
InChIKeyHOWYNAKGXWPTAC-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.06
Rot. Bonds4

About 1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone

1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone (PubChem CID 90444039) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone
PubChem CID90444039
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2cc(OCc3cccc(Cl)c3)cnc2c1
InChIInChI=1S/C17H13ClN2O2/c1-11(21)13-6-16-17(19-8-13)7-15(9-20-16)22-10-12-3-2-4-14(18)5-12/h2-9H,10H2,1H3
InChIKeyHOWYNAKGXWPTAC-UHFFFAOYSA-N
XLogP4.06
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone
CID 90444035
1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone
CID 90444036
7-[(3-chlorophenyl)methoxy]-N-[2-(dimethylamino)ethyl]quinoline-3-carboxamide
CID 86301486
1-[3-amino-4-[(3-chlorophenyl)methoxy]phenyl]ethanone
CID 82064162
tert-butyl N-[2-[[7-[(3-chlorophenyl)methoxy]quinoline-3-carbonyl]amino]ethyl]carbamate
CID 131733288
1-[4-[(5-chloro-3-pyridinyl)methoxy]phenyl]ethanone
CID 59626117
(3-chlorophenyl)methyl quinoxaline-6-carboxylate
CID 7677097
(2S)-2-amino-3-[4-[(3-chlorophenyl)methoxy]phenyl]propanoic acid;1-(4-aminophenyl)ethanone
CID 70092414
O-methyl 3-[(3-chlorophenyl)methoxy]benzenecarbothioate
CID 19768753
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone
CID 10705500
4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 56644738

Frequently Asked Questions

What is the IUPAC name of 1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone?
The IUPAC name of 1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone (CID 90444039) is 1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone.
What is the SMILES notation for 1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone?
The canonical SMILES for 1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone is CC(=O)c1cnc2cc(OCc3cccc(Cl)c3)cnc2c1.
What is the InChIKey of 1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone?
The InChIKey is HOWYNAKGXWPTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-11(21)13-6-16-17(19-8-13)7-15(9-20-16)22-10-12-3-2-4-14(18)5-12/h2-9H,10H2,1H3.
What are the key properties of 1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone?
1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone has a molecular weight of 312.76 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 90444039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).