2-methyl-1H-1,8-naphthyridin-4-one;propane

C12H16N2O — CID 142119860

IUPAC2-methyl-1H-1,8-naphthyridin-4-one;propane
SMILESCCC.Cc1cc(=O)c2cccnc2[nH]1
InChIInChI=1S/C9H8N2O.C3H8/c1-6-5-8(12)7-3-2-4-10-9(7)11-6;1-3-2/h2-5H,1H3,(H,10,11,12);3H2,1-2H3
InChIKeyPMMZICPGJMMIPW-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.65
Rot. Bonds

About 2-methyl-1H-1,8-naphthyridin-4-one;propane

2-methyl-1H-1,8-naphthyridin-4-one;propane (PubChem CID 142119860) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-methyl-1H-1,8-naphthyridin-4-one;propane.

Molecular Properties

Compound Name2-methyl-1H-1,8-naphthyridin-4-one;propane
PubChem CID142119860
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-methyl-1H-1,8-naphthyridin-4-one;propane
SMILESCCC.Cc1cc(=O)c2cccnc2[nH]1
InChIInChI=1S/C9H8N2O.C3H8/c1-6-5-8(12)7-3-2-4-10-9(7)11-6;1-3-2/h2-5H,1H3,(H,10,11,12);3H2,1-2H3
InChIKeyPMMZICPGJMMIPW-UHFFFAOYSA-N
XLogP2.65
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-1H-1,8-naphthyridin-4-one
CID 84670757
ethane;2-methyl-1H-quinolin-4-one;molecular hydrogen;propane
CID 145019261
ethyl 2-oxo-1H-1,8-naphthyridine-4-carboxylate
CID 76849396
3-methyl-2H-2-benzazepine-1,5-dione
CID 15271398
2-methyl-4-(3-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 165404706
3-methoxy-4-methyl-1H-1,8-naphthyridin-2-one
CID 68612137
N,N,2-trimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 156690045
4-(pentylamino)-1H-1,8-naphthyridin-2-one
CID 70533631
3-(4-methylphenyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 848491
2-methyl-8-pyrazol-1-yl-1H-quinolin-4-one
CID 50984941
4-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine
CID 130121035
2,6-dimethyl-3-pyridin-2-yl-1H-pyridin-4-one
CID 18946451

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-1,8-naphthyridin-4-one;propane?
The IUPAC name of 2-methyl-1H-1,8-naphthyridin-4-one;propane (CID 142119860) is 2-methyl-1H-1,8-naphthyridin-4-one;propane.
What is the SMILES notation for 2-methyl-1H-1,8-naphthyridin-4-one;propane?
The canonical SMILES for 2-methyl-1H-1,8-naphthyridin-4-one;propane is CCC.Cc1cc(=O)c2cccnc2[nH]1.
What is the InChIKey of 2-methyl-1H-1,8-naphthyridin-4-one;propane?
The InChIKey is PMMZICPGJMMIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O.C3H8/c1-6-5-8(12)7-3-2-4-10-9(7)11-6;1-3-2/h2-5H,1H3,(H,10,11,12);3H2,1-2H3.
What are the key properties of 2-methyl-1H-1,8-naphthyridin-4-one;propane?
2-methyl-1H-1,8-naphthyridin-4-one;propane has a molecular weight of 204.27 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-1,8-naphthyridin-4-one;propane is sourced from PubChem (CID 142119860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).