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

C13H12BrClN2O — CID 106473049

IUPAC8-bromo-6-chloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
SMILESCNc1c2c(nc3c(Cl)cc(Br)cc13)CCOC2
InChIInChI=1S/C13H12BrClN2O/c1-16-12-8-4-7(14)5-10(15)13(8)17-11-2-3-18-6-9(11)12/h4-5H,2-3,6H2,1H3,(H,16,17)
InChIKeyIHUYKXZQOYFRLY-UHFFFAOYSA-N
MW327.61 g/mol
LogP3.77
Rot. Bonds1

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

8-bromo-6-chloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine (PubChem CID 106473049) has the molecular formula C13H12BrClN2O and a molecular weight of 327.61 g/mol. Its IUPAC name is 8-bromo-6-chloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine.

Molecular Properties

Compound Name8-bromo-6-chloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
PubChem CID106473049
Molecular FormulaC13H12BrClN2O
Molecular Weight327.61 g/mol
Exact Mass325.98
IUPAC Name8-bromo-6-chloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
SMILESCNc1c2c(nc3c(Cl)cc(Br)cc13)CCOC2
InChIInChI=1S/C13H12BrClN2O/c1-16-12-8-4-7(14)5-10(15)13(8)17-11-2-3-18-6-9(11)12/h4-5H,2-3,6H2,1H3,(H,16,17)
InChIKeyIHUYKXZQOYFRLY-UHFFFAOYSA-N
XLogP3.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-bromo-6-chloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine with MolForge

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Related Compounds

6,8,9-trichloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473027
6-bromo-N,7-dimethyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473322
7-bromo-N,5-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202889
5-chloro-N,7-dimethyl-1,2,3,4-tetrahydroacridin-9-amine
CID 63480213
8-bromo-10-chloro-3,4-dihydro-1H-pyrano[4,3-b]quinoline
CID 106471013
8-bromo-6,7,10-trichloro-3,4-dihydro-1H-pyrano[4,3-b]quinoline
CID 114002088
8-chloro-N-ethyl-6-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473178
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
8-chloro-N-ethyl-6-iodo-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 107628895
6,8-dibromo-3,4-dihydro-1H-pyrano[4,3-b]quinoline-10-carboxylic acid
CID 60985694
(6,7-dichloro-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-yl)hydrazine
CID 106473737
6-bromo-N-cyclopropyl-7-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473321

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine?
The IUPAC name of 8-bromo-6-chloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine (CID 106473049) is 8-bromo-6-chloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine.
What is the SMILES notation for 8-bromo-6-chloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine?
The canonical SMILES for 8-bromo-6-chloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine is CNc1c2c(nc3c(Cl)cc(Br)cc13)CCOC2.
What is the InChIKey of 8-bromo-6-chloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine?
The InChIKey is IHUYKXZQOYFRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O/c1-16-12-8-4-7(14)5-10(15)13(8)17-11-2-3-18-6-9(11)12/h4-5H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 8-bromo-6-chloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine?
8-bromo-6-chloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine has a molecular weight of 327.61 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine is sourced from PubChem (CID 106473049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).