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

C12H7ClF3NO — CID 106471008

IUPAC10-chloro-6,7,8-trifluoro-3,4-dihydro-1H-pyrano[4,3-b]quinoline
SMILESFc1cc2c(Cl)c3c(nc2c(F)c1F)CCOC3
InChIInChI=1S/C12H7ClF3NO/c13-9-5-3-7(14)10(15)11(16)12(5)17-8-1-2-18-4-6(8)9/h3H,1-2,4H2
InChIKeyRXEADBPTSJJGGA-UHFFFAOYSA-N
MW273.64 g/mol
LogP3.38
Rot. Bonds

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

10-chloro-6,7,8-trifluoro-3,4-dihydro-1H-pyrano[4,3-b]quinoline (PubChem CID 106471008) has the molecular formula C12H7ClF3NO and a molecular weight of 273.64 g/mol. Its IUPAC name is 10-chloro-6,7,8-trifluoro-3,4-dihydro-1H-pyrano[4,3-b]quinoline.

Molecular Properties

Compound Name10-chloro-6,7,8-trifluoro-3,4-dihydro-1H-pyrano[4,3-b]quinoline
PubChem CID106471008
Molecular FormulaC12H7ClF3NO
Molecular Weight273.64 g/mol
Exact Mass273.02
IUPAC Name10-chloro-6,7,8-trifluoro-3,4-dihydro-1H-pyrano[4,3-b]quinoline
SMILESFc1cc2c(Cl)c3c(nc2c(F)c1F)CCOC3
InChIInChI=1S/C12H7ClF3NO/c13-9-5-3-7(14)10(15)11(16)12(5)17-8-1-2-18-4-6(8)9/h3H,1-2,4H2
InChIKeyRXEADBPTSJJGGA-UHFFFAOYSA-N
XLogP3.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.64
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-chloro-6,7,8-trifluoro-3,4-dihydro-1H-pyrano[4,3-b]quinoline with MolForge

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Launch Full Analysis

Related Compounds

8-bromo-6,7,10-trichloro-3,4-dihydro-1H-pyrano[4,3-b]quinoline
CID 114002088
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
10-chloro-8-fluoro-3,4-dihydro-1H-pyrano[4,3-b]quinoline
CID 106471001
11-chloro-14-oxa-18-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),8,11,17-pentaene
CID 106470978
8-bromo-10-chloro-3,4-dihydro-1H-pyrano[4,3-b]quinoline
CID 106471013
6,8,9-trichloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473027
(6-fluoro-8-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-yl)hydrazine
CID 106473743
8,10-dichloro-7-methoxy-3,4-dihydro-1H-pyrano[4,3-b]quinoline
CID 107622850
N-cyclopropyl-7,8,9-trifluoro-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473275
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

Frequently Asked Questions

What is the IUPAC name of 10-chloro-6,7,8-trifluoro-3,4-dihydro-1H-pyrano[4,3-b]quinoline?
The IUPAC name of 10-chloro-6,7,8-trifluoro-3,4-dihydro-1H-pyrano[4,3-b]quinoline (CID 106471008) is 10-chloro-6,7,8-trifluoro-3,4-dihydro-1H-pyrano[4,3-b]quinoline.
What is the SMILES notation for 10-chloro-6,7,8-trifluoro-3,4-dihydro-1H-pyrano[4,3-b]quinoline?
The canonical SMILES for 10-chloro-6,7,8-trifluoro-3,4-dihydro-1H-pyrano[4,3-b]quinoline is Fc1cc2c(Cl)c3c(nc2c(F)c1F)CCOC3.
What is the InChIKey of 10-chloro-6,7,8-trifluoro-3,4-dihydro-1H-pyrano[4,3-b]quinoline?
The InChIKey is RXEADBPTSJJGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO/c13-9-5-3-7(14)10(15)11(16)12(5)17-8-1-2-18-4-6(8)9/h3H,1-2,4H2.
What are the key properties of 10-chloro-6,7,8-trifluoro-3,4-dihydro-1H-pyrano[4,3-b]quinoline?
10-chloro-6,7,8-trifluoro-3,4-dihydro-1H-pyrano[4,3-b]quinoline has a molecular weight of 273.64 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-6,7,8-trifluoro-3,4-dihydro-1H-pyrano[4,3-b]quinoline is sourced from PubChem (CID 106471008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).