7,9-dichloro-N-cyclopropyl-8-fluoro-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine

C15H13Cl2FN2O — CID 107578873

IUPAC7,9-dichloro-N-cyclopropyl-8-fluoro-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
SMILESFc1c(Cl)cc2nc3c(c(NC4CC4)c2c1Cl)COCC3
InChIInChI=1S/C15H13Cl2FN2O/c16-9-5-11-12(13(17)14(9)18)15(19-7-1-2-7)8-6-21-4-3-10(8)20-11/h5,7H,1-4,6H2,(H,19,20)
InChIKeyIZVJRAVUGWTWGH-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.33
Rot. Bonds2

About 7,9-dichloro-N-cyclopropyl-8-fluoro-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine

7,9-dichloro-N-cyclopropyl-8-fluoro-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine (PubChem CID 107578873) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is 7,9-dichloro-N-cyclopropyl-8-fluoro-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine.

Molecular Properties

Compound Name7,9-dichloro-N-cyclopropyl-8-fluoro-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
PubChem CID107578873
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC Name7,9-dichloro-N-cyclopropyl-8-fluoro-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
SMILESFc1c(Cl)cc2nc3c(c(NC4CC4)c2c1Cl)COCC3
InChIInChI=1S/C15H13Cl2FN2O/c16-9-5-11-12(13(17)14(9)18)15(19-7-1-2-7)8-6-21-4-3-10(8)20-11/h5,7H,1-4,6H2,(H,19,20)
InChIKeyIZVJRAVUGWTWGH-UHFFFAOYSA-N
XLogP4.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7,9-dichloro-N-cyclopropyl-8-fluoro-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-7,8,9-trifluoro-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473275
8-bromo-N-cyclopropyl-7,9-dimethyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 107578774
(7,9-dichloro-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-yl)hydrazine
CID 106473710
(1,3-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine
CID 107579086
N-cyclopropyl-8-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473014
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
N-cyclopropyl-6-methoxy-9-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473061
6,8,9-trichloro-N-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473027
6-bromo-N-cyclopropyl-7-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473321
10-chloro-6,7,8-trifluoro-3,4-dihydro-1H-pyrano[4,3-b]quinoline
CID 106471008
(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 7,9-dichloro-N-cyclopropyl-8-fluoro-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine?
The IUPAC name of 7,9-dichloro-N-cyclopropyl-8-fluoro-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine (CID 107578873) is 7,9-dichloro-N-cyclopropyl-8-fluoro-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine.
What is the SMILES notation for 7,9-dichloro-N-cyclopropyl-8-fluoro-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine?
The canonical SMILES for 7,9-dichloro-N-cyclopropyl-8-fluoro-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine is Fc1c(Cl)cc2nc3c(c(NC4CC4)c2c1Cl)COCC3.
What is the InChIKey of 7,9-dichloro-N-cyclopropyl-8-fluoro-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine?
The InChIKey is IZVJRAVUGWTWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c16-9-5-11-12(13(17)14(9)18)15(19-7-1-2-7)8-6-21-4-3-10(8)20-11/h5,7H,1-4,6H2,(H,19,20).
What are the key properties of 7,9-dichloro-N-cyclopropyl-8-fluoro-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine?
7,9-dichloro-N-cyclopropyl-8-fluoro-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine has a molecular weight of 327.19 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dichloro-N-cyclopropyl-8-fluoro-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine is sourced from PubChem (CID 107578873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).