4-methyl-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]pentanal

C14H18N2O3 — CID 21073408

IUPAC4-methyl-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]pentanal
SMILESCC(C)(CCC=O)Oc1ccc2c(n1)NC(=O)CC2
InChIInChI=1S/C14H18N2O3/c1-14(2,8-3-9-17)19-12-7-5-10-4-6-11(18)15-13(10)16-12/h5,7,9H,3-4,6,8H2,1-2H3,(H,15,16,18)
InChIKeyZINSDOYVXCUNLD-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.10
Rot. Bonds5

About 4-methyl-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]pentanal

4-methyl-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]pentanal (PubChem CID 21073408) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-methyl-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]pentanal.

Molecular Properties

Compound Name4-methyl-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]pentanal
PubChem CID21073408
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-methyl-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]pentanal
SMILESCC(C)(CCC=O)Oc1ccc2c(n1)NC(=O)CC2
InChIInChI=1S/C14H18N2O3/c1-14(2,8-3-9-17)19-12-7-5-10-4-6-11(18)15-13(10)16-12/h5,7,9H,3-4,6,8H2,1-2H3,(H,15,16,18)
InChIKeyZINSDOYVXCUNLD-UHFFFAOYSA-N
XLogP2.10
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]pentanal
CID 21073378
ethane;7-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 143189329
methyl 7-oxo-6,8-dihydro-5H-1,8-naphthyridine-2-carboxylate
CID 69398457
4-[(6,6-dimethyl-7-oxo-5,8-dihydro-1,8-naphthyridin-2-yl)oxy]butanal
CID 21073360
7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073818
7-[4-[4-(3-ethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073663
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal
CID 56851120
2-[4-(oxan-2-yloxy)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one
CID 69358675
7-[4-[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073481
7-[4-[4-(2,2-dimethyl-3-oxo-1H-inden-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073518
7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 117312766
7-[4-[4-(2-oxo-1,3-dihydroinden-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073630

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]pentanal?
The IUPAC name of 4-methyl-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]pentanal (CID 21073408) is 4-methyl-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]pentanal.
What is the SMILES notation for 4-methyl-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]pentanal?
The canonical SMILES for 4-methyl-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]pentanal is CC(C)(CCC=O)Oc1ccc2c(n1)NC(=O)CC2.
What is the InChIKey of 4-methyl-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]pentanal?
The InChIKey is ZINSDOYVXCUNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(2,8-3-9-17)19-12-7-5-10-4-6-11(18)15-13(10)16-12/h5,7,9H,3-4,6,8H2,1-2H3,(H,15,16,18).
What are the key properties of 4-methyl-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]pentanal?
4-methyl-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]pentanal has a molecular weight of 262.31 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]pentanal is sourced from PubChem (CID 21073408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).