5-butyl-3-methylimidazo[4,5-c][1,8]naphthyridin-4-one

C14H16N4O — CID 3071975

IUPAC5-butyl-3-methylimidazo[4,5-c][1,8]naphthyridin-4-one
SMILESCCCCn1c(=O)c2c(ncn2C)c2cccnc21
InChIInChI=1S/C14H16N4O/c1-3-4-8-18-13-10(6-5-7-15-13)11-12(14(18)19)17(2)9-16-11/h5-7,9H,3-4,8H2,1-2H3
InChIKeyXWCPJDLITHFYQE-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.08
Rot. Bonds3

About 5-butyl-3-methylimidazo[4,5-c][1,8]naphthyridin-4-one

5-butyl-3-methylimidazo[4,5-c][1,8]naphthyridin-4-one (PubChem CID 3071975) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-butyl-3-methylimidazo[4,5-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name5-butyl-3-methylimidazo[4,5-c][1,8]naphthyridin-4-one
PubChem CID3071975
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name5-butyl-3-methylimidazo[4,5-c][1,8]naphthyridin-4-one
SMILESCCCCn1c(=O)c2c(ncn2C)c2cccnc21
InChIInChI=1S/C14H16N4O/c1-3-4-8-18-13-10(6-5-7-15-13)11-12(14(18)19)17(2)9-16-11/h5-7,9H,3-4,8H2,1-2H3
InChIKeyXWCPJDLITHFYQE-UHFFFAOYSA-N
XLogP2.08
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4H-Imidazo(4,5-c)quinolin-4-one, 1,5-dihydro-5-butyl-1-methyl-
CID 3077017
KF 17625
CID 126487
KF 18280
CID 3071941
8-(3-Pyridyl)theophylline
CID 100380
8-(4-Pyridyl)theophylline
CID 121006
1-Benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 21604934
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 712408
Pimefyllin
CID 65597
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-ethyl-5-phenyl-
CID 3071939
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-methyl-5-phenyl-
CID 3071959
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-5-phenyl-3-propyl-
CID 3071969
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-(2-methylpropyl)-5-phenyl-
CID 3071971

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-methylimidazo[4,5-c][1,8]naphthyridin-4-one?
The IUPAC name of 5-butyl-3-methylimidazo[4,5-c][1,8]naphthyridin-4-one (CID 3071975) is 5-butyl-3-methylimidazo[4,5-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 5-butyl-3-methylimidazo[4,5-c][1,8]naphthyridin-4-one?
The canonical SMILES for 5-butyl-3-methylimidazo[4,5-c][1,8]naphthyridin-4-one is CCCCn1c(=O)c2c(ncn2C)c2cccnc21.
What is the InChIKey of 5-butyl-3-methylimidazo[4,5-c][1,8]naphthyridin-4-one?
The InChIKey is XWCPJDLITHFYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-3-4-8-18-13-10(6-5-7-15-13)11-12(14(18)19)17(2)9-16-11/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of 5-butyl-3-methylimidazo[4,5-c][1,8]naphthyridin-4-one?
5-butyl-3-methylimidazo[4,5-c][1,8]naphthyridin-4-one has a molecular weight of 256.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-methylimidazo[4,5-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 3071975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).