6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile

C15H13Cl2N3 — CID 82451585

IUPAC6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile
SMILESCCN1CCc2nc3c(Cl)c(Cl)ccc3c(C#N)c2C1
InChIInChI=1S/C15H13Cl2N3/c1-2-20-6-5-13-11(8-20)10(7-18)9-3-4-12(16)14(17)15(9)19-13/h3-4H,2,5-6,8H2,1H3
InChIKeyKVHYGFRZYIRNLE-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.79
Rot. Bonds1

About 6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile

6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile (PubChem CID 82451585) has the molecular formula C15H13Cl2N3 and a molecular weight of 306.20 g/mol. Its IUPAC name is 6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile.

Molecular Properties

Compound Name6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile
PubChem CID82451585
Molecular FormulaC15H13Cl2N3
Molecular Weight306.20 g/mol
Exact Mass305.05
IUPAC Name6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile
SMILESCCN1CCc2nc3c(Cl)c(Cl)ccc3c(C#N)c2C1
InChIInChI=1S/C15H13Cl2N3/c1-2-20-6-5-13-11(8-20)10(7-18)9-3-4-12(16)14(17)15(9)19-13/h3-4H,2,5-6,8H2,1H3
InChIKeyKVHYGFRZYIRNLE-UHFFFAOYSA-N
XLogP3.79
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile
CID 82450077
6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
CID 60984693
1-(7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine
CID 82451762
(6,7-dichloro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
CID 82451582
6,7-dichloro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde
CID 82451578
1-(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine
CID 82451152
N-(2-cyanophenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792712
(2,6-diethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
CID 82450203
1-(2-ethyl-6-methoxy-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine
CID 82451939
5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile
CID 82450100
2,4-dichloro-7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 105490423
8-chloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide
CID 82451410

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile?
The IUPAC name of 6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile (CID 82451585) is 6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile.
What is the SMILES notation for 6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile?
The canonical SMILES for 6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile is CCN1CCc2nc3c(Cl)c(Cl)ccc3c(C#N)c2C1.
What is the InChIKey of 6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile?
The InChIKey is KVHYGFRZYIRNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3/c1-2-20-6-5-13-11(8-20)10(7-18)9-3-4-12(16)14(17)15(9)19-13/h3-4H,2,5-6,8H2,1H3.
What are the key properties of 6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile?
6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile has a molecular weight of 306.20 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile is sourced from PubChem (CID 82451585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).