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

C16H18N2O — CID 82450170

IUPAC6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde
SMILESCCc1cccc2c(C=O)c3c(nc12)CCN(C)C3
InChIInChI=1S/C16H18N2O/c1-3-11-5-4-6-12-14(10-19)13-9-18(2)8-7-15(13)17-16(11)12/h4-6,10H,3,7-9H2,1-2H3
InChIKeyXUMRCIXDYHDZNP-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.60
Rot. Bonds2

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

6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde (PubChem CID 82450170) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde.

Molecular Properties

Compound Name6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde
PubChem CID82450170
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde
SMILESCCc1cccc2c(C=O)c3c(nc12)CCN(C)C3
InChIInChI=1S/C16H18N2O/c1-3-11-5-4-6-12-14(10-19)13-9-18(2)8-7-15(13)17-16(11)12/h4-6,10H,3,7-9H2,1-2H3
InChIKeyXUMRCIXDYHDZNP-UHFFFAOYSA-N
XLogP2.60
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol
CID 82450181
(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
CID 82450182
6,7-dichloro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde
CID 82451578
N-[(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-2-amine
CID 82450173
(2,6-diethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
CID 82450203
10-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-6-ol
CID 115008512
2,6-diethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbohydrazide
CID 82450209
6-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 110489471
9-(chloromethyl)-5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 82450114
5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile
CID 82450100
1-(5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanamine
CID 82450132
(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 6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde?
The IUPAC name of 6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde (CID 82450170) is 6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde.
What is the SMILES notation for 6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde?
The canonical SMILES for 6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde is CCc1cccc2c(C=O)c3c(nc12)CCN(C)C3.
What is the InChIKey of 6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde?
The InChIKey is XUMRCIXDYHDZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-11-5-4-6-12-14(10-19)13-9-18(2)8-7-15(13)17-16(11)12/h4-6,10H,3,7-9H2,1-2H3.
What are the key properties of 6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde?
6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde has a molecular weight of 254.33 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde is sourced from PubChem (CID 82450170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).