8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile

C15H15N3O — CID 82452014

IUPAC8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile
SMILESCOc1ccc2nc3c(c(C#N)c2c1)CN(C)CC3
InChIInChI=1S/C15H15N3O/c1-18-6-5-15-13(9-18)12(8-16)11-7-10(19-2)3-4-14(11)17-15/h3-4,7H,5-6,9H2,1-2H3
InChIKeyIVFVXFJEWQPJMT-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.10
Rot. Bonds1

About 8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile

8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile (PubChem CID 82452014) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile.

Molecular Properties

Compound Name8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile
PubChem CID82452014
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile
SMILESCOc1ccc2nc3c(c(C#N)c2c1)CN(C)CC3
InChIInChI=1S/C15H15N3O/c1-18-6-5-15-13(9-18)12(8-16)11-7-10(19-2)3-4-14(11)17-15/h3-4,7H,5-6,9H2,1-2H3
InChIKeyIVFVXFJEWQPJMT-UHFFFAOYSA-N
XLogP2.10
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide
CID 82452021
6-methoxy-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinoline-3-carbonitrile
CID 135272132
[2-(4-methoxyphenyl)-2-oxoethyl] 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 2424741
2-[(4-fluorophenyl)methylsulfanyl]-4-(3-methoxyphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 23476042
2-[(2-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 23476006
N-methyl-1-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
CID 82449912
[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23773827
(3-methylphenyl) 2-[[3-cyano-4-(3-methoxyphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]acetate
CID 23476039
3-bromo-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-4-carbonitrile
CID 82623202
7-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile
CID 82450301
N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)hydroxylamine
CID 21192892
(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol
CID 82449929

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile?
The IUPAC name of 8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile (CID 82452014) is 8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile.
What is the SMILES notation for 8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile?
The canonical SMILES for 8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile is COc1ccc2nc3c(c(C#N)c2c1)CN(C)CC3.
What is the InChIKey of 8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile?
The InChIKey is IVFVXFJEWQPJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-18-6-5-15-13(9-18)12(8-16)11-7-10(19-2)3-4-14(11)17-15/h3-4,7H,5-6,9H2,1-2H3.
What are the key properties of 8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile?
8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile has a molecular weight of 253.30 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile is sourced from PubChem (CID 82452014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).