6,8,9-trichloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine

C13H11Cl3N2O — CID 106473027

IUPAC6,8,9-trichloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
SMILESCNc1c2c(nc3c(Cl)cc(Cl)c(Cl)c13)CCOC2
InChIInChI=1S/C13H11Cl3N2O/c1-17-12-6-5-19-3-2-9(6)18-13-8(15)4-7(14)11(16)10(12)13/h4H,2-3,5H2,1H3,(H,17,18)
InChIKeyDUUDCOBNOBLAJW-UHFFFAOYSA-N
MW317.60 g/mol
LogP4.31
Rot. Bonds1

About 6,8,9-trichloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine

6,8,9-trichloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine (PubChem CID 106473027) has the molecular formula C13H11Cl3N2O and a molecular weight of 317.60 g/mol. Its IUPAC name is 6,8,9-trichloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine.

Molecular Properties

Compound Name6,8,9-trichloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
PubChem CID106473027
Molecular FormulaC13H11Cl3N2O
Molecular Weight317.60 g/mol
Exact Mass315.99
IUPAC Name6,8,9-trichloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
SMILESCNc1c2c(nc3c(Cl)cc(Cl)c(Cl)c13)CCOC2
InChIInChI=1S/C13H11Cl3N2O/c1-17-12-6-5-19-3-2-9(6)18-13-8(15)4-7(14)11(16)10(12)13/h4H,2-3,5H2,1H3,(H,17,18)
InChIKeyDUUDCOBNOBLAJW-UHFFFAOYSA-N
XLogP4.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.60
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

8-bromo-6-chloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473049
9-fluoro-N,6-dimethyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473134
6-bromo-N,7-dimethyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473322
(6,7-dichloro-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-yl)hydrazine
CID 106473737
8-chloro-N-ethyl-6-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473178
10-chloro-6,7,8-trifluoro-3,4-dihydro-1H-pyrano[4,3-b]quinoline
CID 106471008
8-chloro-N-ethyl-6-iodo-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 107628895
(7,9-dichloro-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-yl)hydrazine
CID 106473710
8-bromo-6,7,10-trichloro-3,4-dihydro-1H-pyrano[4,3-b]quinoline
CID 114002088
7,9-dichloro-N-cyclopropyl-8-fluoro-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 107578873
(6-fluoro-8-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-yl)hydrazine
CID 106473743
N-methyl-4,8,16-trioxa-12-azatetracyclo[9.8.0.03,9.013,18]nonadeca-1,3(9),10,12,18-pentaen-19-amine
CID 106472954

Frequently Asked Questions

What is the IUPAC name of 6,8,9-trichloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine?
The IUPAC name of 6,8,9-trichloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine (CID 106473027) is 6,8,9-trichloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine.
What is the SMILES notation for 6,8,9-trichloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine?
The canonical SMILES for 6,8,9-trichloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine is CNc1c2c(nc3c(Cl)cc(Cl)c(Cl)c13)CCOC2.
What is the InChIKey of 6,8,9-trichloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine?
The InChIKey is DUUDCOBNOBLAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2O/c1-17-12-6-5-19-3-2-9(6)18-13-8(15)4-7(14)11(16)10(12)13/h4H,2-3,5H2,1H3,(H,17,18).
What are the key properties of 6,8,9-trichloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine?
6,8,9-trichloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine has a molecular weight of 317.60 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,9-trichloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine is sourced from PubChem (CID 106473027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).