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

C14H12Cl2N2O — CID 82451578

IUPAC6,7-dichloro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde
SMILESCN1CCc2nc3c(Cl)c(Cl)ccc3c(C=O)c2C1
InChIInChI=1S/C14H12Cl2N2O/c1-18-5-4-12-9(6-18)10(7-19)8-2-3-11(15)13(16)14(8)17-12/h2-3,7H,4-6H2,1H3
InChIKeyWUWRRSVMPQMDRO-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.34
Rot. Bonds1

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

6,7-dichloro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde (PubChem CID 82451578) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 6,7-dichloro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde.

Molecular Properties

Compound Name6,7-dichloro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde
PubChem CID82451578
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name6,7-dichloro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde
SMILESCN1CCc2nc3c(Cl)c(Cl)ccc3c(C=O)c2C1
InChIInChI=1S/C14H12Cl2N2O/c1-18-5-4-12-9(6-18)10(7-19)8-2-3-11(15)13(16)14(8)17-12/h2-3,7H,4-6H2,1H3
InChIKeyWUWRRSVMPQMDRO-UHFFFAOYSA-N
XLogP3.34
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(6,7-dichloro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
CID 82451582
6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde
CID 82450170
(7-chloro-2,6-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanol
CID 82451741
6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
CID 60984693
6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile
CID 82451585
7,8-dichloro-2-methylquinoline-4-carbaldehyde
CID 82449304
10-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-6-ol
CID 115008512
2-(5,6-dichloro-1,2,3,4-tetrahydroacridin-9-yl)propan-2-amine
CID 82451572
5-chloro-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline
CID 84669129
2-chloro-4,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 82192182
2-chloro-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136982066
7-chloro-2-methyl-10-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine
CID 15631968

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde?
The IUPAC name of 6,7-dichloro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde (CID 82451578) is 6,7-dichloro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde.
What is the SMILES notation for 6,7-dichloro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde?
The canonical SMILES for 6,7-dichloro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde is CN1CCc2nc3c(Cl)c(Cl)ccc3c(C=O)c2C1.
What is the InChIKey of 6,7-dichloro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde?
The InChIKey is WUWRRSVMPQMDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c1-18-5-4-12-9(6-18)10(7-19)8-2-3-11(15)13(16)14(8)17-12/h2-3,7H,4-6H2,1H3.
What are the key properties of 6,7-dichloro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde?
6,7-dichloro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde has a molecular weight of 295.17 g/mol, XLogP of 3.34, 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-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde is sourced from PubChem (CID 82451578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).