3-methyl-4a,8a-dihydro-1,5-naphthyridine

C9H10N2 — CID 123440833

IUPAC3-methyl-4a,8a-dihydro-1,5-naphthyridine
SMILESCC1=CC2N=CC=CC2N=C1
InChIInChI=1S/C9H10N2/c1-7-5-9-8(11-6-7)3-2-4-10-9/h2-6,8-9H,1H3
InChIKeyMNRQVSHRKQJUHN-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.39
Rot. Bonds

About 3-methyl-4a,8a-dihydro-1,5-naphthyridine

3-methyl-4a,8a-dihydro-1,5-naphthyridine (PubChem CID 123440833) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-methyl-4a,8a-dihydro-1,5-naphthyridine.

Molecular Properties

Compound Name3-methyl-4a,8a-dihydro-1,5-naphthyridine
PubChem CID123440833
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name3-methyl-4a,8a-dihydro-1,5-naphthyridine
SMILESCC1=CC2N=CC=CC2N=C1
InChIInChI=1S/C9H10N2/c1-7-5-9-8(11-6-7)3-2-4-10-9/h2-6,8-9H,1H3
InChIKeyMNRQVSHRKQJUHN-UHFFFAOYSA-N
XLogP1.39
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4a,8a-Dihydroquinoxaline
CID 21025825
3,5,8,8a-Tetrahydroquinoline
CID 54491121
8,8a-Dihydroquinoline
CID 57104900
(4aS,8aS)-6-methyl-4a,8a-dihydroquinoxaline
CID 57156092
6-Methyl-4a,8a-dihydroquinoline
CID 57883984
3-Methyl-3,8a-dihydroquinoline
CID 58797905
6-Methyl-4a,8a-dihydroquinoxaline
CID 59199659
6-Propan-2-yl-4a,8a-dihydroquinoline
CID 59940834
3-Methyl-4a,8a-dihydroquinoline
CID 68248184
2-Prop-1-en-2-yl-2,3-dihydropyridine
CID 70308527
6-Ethyl-4a,8a-dihydroquinoline
CID 70345799
2-Methyl-4a,8a-dihydro-1,5-naphthyridine
CID 89093828

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4a,8a-dihydro-1,5-naphthyridine?
The IUPAC name of 3-methyl-4a,8a-dihydro-1,5-naphthyridine (CID 123440833) is 3-methyl-4a,8a-dihydro-1,5-naphthyridine.
What is the SMILES notation for 3-methyl-4a,8a-dihydro-1,5-naphthyridine?
The canonical SMILES for 3-methyl-4a,8a-dihydro-1,5-naphthyridine is CC1=CC2N=CC=CC2N=C1.
What is the InChIKey of 3-methyl-4a,8a-dihydro-1,5-naphthyridine?
The InChIKey is MNRQVSHRKQJUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-7-5-9-8(11-6-7)3-2-4-10-9/h2-6,8-9H,1H3.
What are the key properties of 3-methyl-4a,8a-dihydro-1,5-naphthyridine?
3-methyl-4a,8a-dihydro-1,5-naphthyridine has a molecular weight of 146.19 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4a,8a-dihydro-1,5-naphthyridine is sourced from PubChem (CID 123440833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).