2-(2,7,8-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetonitrile

C17H19N3 — CID 82451023

IUPAC2-(2,7,8-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetonitrile
SMILESCc1cc2nc3c(c(CC#N)c2cc1C)CN(C)CC3
InChIInChI=1S/C17H19N3/c1-11-8-14-13(4-6-18)15-10-20(3)7-5-16(15)19-17(14)9-12(11)2/h8-9H,4-5,7,10H2,1-3H3
InChIKeyASMFYPMHACIKSM-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.91
Rot. Bonds1

About 2-(2,7,8-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetonitrile

2-(2,7,8-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetonitrile (PubChem CID 82451023) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(2,7,8-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetonitrile.

Molecular Properties

Compound Name2-(2,7,8-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetonitrile
PubChem CID82451023
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-(2,7,8-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetonitrile
SMILESCc1cc2nc3c(c(CC#N)c2cc1C)CN(C)CC3
InChIInChI=1S/C17H19N3/c1-11-8-14-13(4-6-18)15-10-20(3)7-5-16(15)19-17(14)9-12(11)2/h8-9H,4-5,7,10H2,1-3H3
InChIKeyASMFYPMHACIKSM-UHFFFAOYSA-N
XLogP2.91
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,7,8-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetonitrile with MolForge

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Related Compounds

1-(8-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine
CID 82450491
(8-bromo-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanol
CID 82451326
N-[(2,8-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-2-amine
CID 82450376
N-methyl-1-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
CID 82449912
2-(7-ethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile
CID 82450438
(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol
CID 82449929
(6,7-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)methanol
CID 82450980
8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile
CID 82452014
2-(2,6,7-trimethylquinolin-4-yl)acetonitrile
CID 82448714
1-(2-ethyl-7,8-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)ethanone
CID 82451050
2-(7-chloro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)acetonitrile
CID 82451782
2-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetic acid
CID 82451803

Frequently Asked Questions

What is the IUPAC name of 2-(2,7,8-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetonitrile?
The IUPAC name of 2-(2,7,8-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetonitrile (CID 82451023) is 2-(2,7,8-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetonitrile.
What is the SMILES notation for 2-(2,7,8-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetonitrile?
The canonical SMILES for 2-(2,7,8-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetonitrile is Cc1cc2nc3c(c(CC#N)c2cc1C)CN(C)CC3.
What is the InChIKey of 2-(2,7,8-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetonitrile?
The InChIKey is ASMFYPMHACIKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-11-8-14-13(4-6-18)15-10-20(3)7-5-16(15)19-17(14)9-12(11)2/h8-9H,4-5,7,10H2,1-3H3.
What are the key properties of 2-(2,7,8-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetonitrile?
2-(2,7,8-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetonitrile has a molecular weight of 265.36 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7,8-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetonitrile is sourced from PubChem (CID 82451023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).