(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol

C16H20N2S — CID 82450181

IUPAC(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol
SMILESCCc1cccc2c(CS)c3c(nc12)CCN(C)C3
InChIInChI=1S/C16H20N2S/c1-3-11-5-4-6-12-14(10-19)13-9-18(2)8-7-15(13)17-16(11)12/h4-6,19H,3,7-10H2,1-2H3
InChIKeyVVOUYQUZFCTSNX-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.21
Rot. Bonds2

About (6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol

(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol (PubChem CID 82450181) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is (6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol.

Molecular Properties

Compound Name(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol
PubChem CID82450181
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol
SMILESCCc1cccc2c(CS)c3c(nc12)CCN(C)C3
InChIInChI=1S/C16H20N2S/c1-3-11-5-4-6-12-14(10-19)13-9-18(2)8-7-15(13)17-16(11)12/h4-6,19H,3,7-10H2,1-2H3
InChIKeyVVOUYQUZFCTSNX-UHFFFAOYSA-N
XLogP3.21
TPSA16.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
CID 82450182
N-[(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-2-amine
CID 82450173
6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde
CID 82450170
(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol
CID 82449929
(2,6-diethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
CID 82450203
9-(chloromethyl)-5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 82450114
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
(6,7-dichloro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
CID 82451582
N-[(2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine
CID 82450691
6-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 110489471
(7-chloro-2,6-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanol
CID 82451741

Frequently Asked Questions

What is the IUPAC name of (6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol?
The IUPAC name of (6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol (CID 82450181) is (6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol.
What is the SMILES notation for (6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol?
The canonical SMILES for (6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol is CCc1cccc2c(CS)c3c(nc12)CCN(C)C3.
What is the InChIKey of (6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol?
The InChIKey is VVOUYQUZFCTSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-3-11-5-4-6-12-14(10-19)13-9-18(2)8-7-15(13)17-16(11)12/h4-6,19H,3,7-10H2,1-2H3.
What are the key properties of (6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol?
(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol has a molecular weight of 272.42 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 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]naphthyridin-10-yl)methanethiol is sourced from PubChem (CID 82450181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).