8-bromo-6,7,10-trichloro-3,4-dihydro-1H-pyrano[4,3-b]quinoline

C12H7BrCl3NO — CID 114002088

IUPAC8-bromo-6,7,10-trichloro-3,4-dihydro-1H-pyrano[4,3-b]quinoline
SMILESClc1c(Br)cc2c(Cl)c3c(nc2c1Cl)CCOC3
InChIInChI=1S/C12H7BrCl3NO/c13-7-3-5-9(14)6-4-18-2-1-8(6)17-12(5)11(16)10(7)15/h3H,1-2,4H2
InChIKeyDWAJDVIHGXNIKO-UHFFFAOYSA-N
MW367.46 g/mol
LogP5.03
Rot. Bonds

About 8-bromo-6,7,10-trichloro-3,4-dihydro-1H-pyrano[4,3-b]quinoline

8-bromo-6,7,10-trichloro-3,4-dihydro-1H-pyrano[4,3-b]quinoline (PubChem CID 114002088) has the molecular formula C12H7BrCl3NO and a molecular weight of 367.46 g/mol. Its IUPAC name is 8-bromo-6,7,10-trichloro-3,4-dihydro-1H-pyrano[4,3-b]quinoline.

Molecular Properties

Compound Name8-bromo-6,7,10-trichloro-3,4-dihydro-1H-pyrano[4,3-b]quinoline
PubChem CID114002088
Molecular FormulaC12H7BrCl3NO
Molecular Weight367.46 g/mol
Exact Mass364.88
IUPAC Name8-bromo-6,7,10-trichloro-3,4-dihydro-1H-pyrano[4,3-b]quinoline
SMILESClc1c(Br)cc2c(Cl)c3c(nc2c1Cl)CCOC3
InChIInChI=1S/C12H7BrCl3NO/c13-7-3-5-9(14)6-4-18-2-1-8(6)17-12(5)11(16)10(7)15/h3H,1-2,4H2
InChIKeyDWAJDVIHGXNIKO-UHFFFAOYSA-N
XLogP5.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.46
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

10-chloro-6,7,8-trifluoro-3,4-dihydro-1H-pyrano[4,3-b]quinoline
CID 106471008
8-bromo-10-chloro-3,4-dihydro-1H-pyrano[4,3-b]quinoline
CID 106471013
11-chloro-14-oxa-18-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),8,11,17-pentaene
CID 106470978
(7-bromo-5,6-dichloro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
CID 114002173
10-chloro-8-fluoro-3,4-dihydro-1H-pyrano[4,3-b]quinoline
CID 106471001
10-chloro-7-fluoro-6-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinoline
CID 106471021
8,10-dichloro-7-fluoro-3,4-dihydro-1H-pyrano[4,3-b]quinoline
CID 106471040
8-bromo-6-chloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473049
(6,7-dichloro-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-yl)hydrazine
CID 106473737
7-bromo-5,6-dichloro-N-propyl-1,2,3,4-tetrahydroacridin-9-amine
CID 107793865
8,10-dichloro-7-methoxy-3,4-dihydro-1H-pyrano[4,3-b]quinoline
CID 107622850
6,8-dibromo-3,4-dihydro-1H-pyrano[4,3-b]quinoline-10-carboxylic acid
CID 60985694

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6,7,10-trichloro-3,4-dihydro-1H-pyrano[4,3-b]quinoline?
The IUPAC name of 8-bromo-6,7,10-trichloro-3,4-dihydro-1H-pyrano[4,3-b]quinoline (CID 114002088) is 8-bromo-6,7,10-trichloro-3,4-dihydro-1H-pyrano[4,3-b]quinoline.
What is the SMILES notation for 8-bromo-6,7,10-trichloro-3,4-dihydro-1H-pyrano[4,3-b]quinoline?
The canonical SMILES for 8-bromo-6,7,10-trichloro-3,4-dihydro-1H-pyrano[4,3-b]quinoline is Clc1c(Br)cc2c(Cl)c3c(nc2c1Cl)CCOC3.
What is the InChIKey of 8-bromo-6,7,10-trichloro-3,4-dihydro-1H-pyrano[4,3-b]quinoline?
The InChIKey is DWAJDVIHGXNIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl3NO/c13-7-3-5-9(14)6-4-18-2-1-8(6)17-12(5)11(16)10(7)15/h3H,1-2,4H2.
What are the key properties of 8-bromo-6,7,10-trichloro-3,4-dihydro-1H-pyrano[4,3-b]quinoline?
8-bromo-6,7,10-trichloro-3,4-dihydro-1H-pyrano[4,3-b]quinoline has a molecular weight of 367.46 g/mol, XLogP of 5.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6,7,10-trichloro-3,4-dihydro-1H-pyrano[4,3-b]quinoline is sourced from PubChem (CID 114002088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).