1-cyclopropyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one

C20H20N2O2 — CID 139602407

IUPAC1-cyclopropyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one
SMILESCCCOc1ccc(-c2cc3cccnc3n(C3CC3)c2=O)cc1
InChIInChI=1S/C20H20N2O2/c1-2-12-24-17-9-5-14(6-10-17)18-13-15-4-3-11-21-19(15)22(20(18)23)16-7-8-16/h3-6,9-11,13,16H,2,7-8,12H2,1H3
InChIKeyGAYGEXRCUXCINX-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.19
Rot. Bonds5

About 1-cyclopropyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one

1-cyclopropyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one (PubChem CID 139602407) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one
PubChem CID139602407
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-cyclopropyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one
SMILESCCCOc1ccc(-c2cc3cccnc3n(C3CC3)c2=O)cc1
InChIInChI=1S/C20H20N2O2/c1-2-12-24-17-9-5-14(6-10-17)18-13-15-4-3-11-21-19(15)22(20(18)23)16-7-8-16/h3-6,9-11,13,16H,2,7-8,12H2,1H3
InChIKeyGAYGEXRCUXCINX-UHFFFAOYSA-N
XLogP4.19
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one
CID 139602478
3-(4-propoxyphenyl)-1,10-phenanthroline
CID 174763082
3-cyclopropyl-2-ethyl-5-(4-propoxyphenyl)imidazol-4-amine
CID 62495279
4-cyclopropyl-2-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(2,4,5-trifluorophenyl)pyrido[2,3-b]pyrazin-3-one
CID 157452235
4-(4-propoxyphenyl)imidazolidin-2-one
CID 154396334
3-(4-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 58087873
[3-[4-(1-cyclopropyl-2-oxoquinolin-3-yl)phenoxy]-2,3-dimethylbutan-2-yl] 2-methylbutanoate
CID 126607908
2-cyclopropyl-4-(3-fluorophenyl)-1-oxo-6-propoxyisoquinoline-3-carbonitrile
CID 68718548
1-(4-methylphenyl)sulfonyl-2-(1-methyl-5-propoxyindol-3-yl)pyrrolo[2,3-b]pyridine
CID 91482964
4-cyclopropyl-2-(2-hydroxy-4-methylphenyl)pyrido[2,3-b]pyrazin-3-one
CID 137211742
3-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]pyrano[2,3-b]pyridin-2-one
CID 162356734
(2R)-3-cyclopropyl-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008911

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one (CID 139602407) is 1-cyclopropyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one is CCCOc1ccc(-c2cc3cccnc3n(C3CC3)c2=O)cc1.
What is the InChIKey of 1-cyclopropyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one?
The InChIKey is GAYGEXRCUXCINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-2-12-24-17-9-5-14(6-10-17)18-13-15-4-3-11-21-19(15)22(20(18)23)16-7-8-16/h3-6,9-11,13,16H,2,7-8,12H2,1H3.
What are the key properties of 1-cyclopropyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one?
1-cyclopropyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one has a molecular weight of 320.39 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-propoxyphenyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 139602407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).