3-(3-chlorophenyl)-1-cyclopentyl-7-methoxy-2,4-dihydropyrimido[5,4-c]quinoline

C23H24ClN3O — CID 141367138

IUPAC3-(3-chlorophenyl)-1-cyclopentyl-7-methoxy-2,4-dihydropyrimido[5,4-c]quinoline
SMILESCOc1cccc2c3c(cnc12)CN(c1cccc(Cl)c1)CN3C1CCCC1
InChIInChI=1S/C23H24ClN3O/c1-28-21-11-5-10-20-22(21)25-13-16-14-26(19-9-4-6-17(24)12-19)15-27(23(16)20)18-7-2-3-8-18/h4-6,9-13,18H,2-3,7-8,14-15H2,1H3
InChIKeyPSSYIIAZCYWFMU-UHFFFAOYSA-N
MW393.92 g/mol
LogP5.62
Rot. Bonds3

About 3-(3-chlorophenyl)-1-cyclopentyl-7-methoxy-2,4-dihydropyrimido[5,4-c]quinoline

3-(3-chlorophenyl)-1-cyclopentyl-7-methoxy-2,4-dihydropyrimido[5,4-c]quinoline (PubChem CID 141367138) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-cyclopentyl-7-methoxy-2,4-dihydropyrimido[5,4-c]quinoline.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-cyclopentyl-7-methoxy-2,4-dihydropyrimido[5,4-c]quinoline
PubChem CID141367138
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC Name3-(3-chlorophenyl)-1-cyclopentyl-7-methoxy-2,4-dihydropyrimido[5,4-c]quinoline
SMILESCOc1cccc2c3c(cnc12)CN(c1cccc(Cl)c1)CN3C1CCCC1
InChIInChI=1S/C23H24ClN3O/c1-28-21-11-5-10-20-22(21)25-13-16-14-26(19-9-4-6-17(24)12-19)15-27(23(16)20)18-7-2-3-8-18/h4-6,9-13,18H,2-3,7-8,14-15H2,1H3
InChIKeyPSSYIIAZCYWFMU-UHFFFAOYSA-N
XLogP5.62
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.92
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-cyclopentyl-7-methoxy-2,4-dihydropyrimido[5,4-c]quinoline?
The IUPAC name of 3-(3-chlorophenyl)-1-cyclopentyl-7-methoxy-2,4-dihydropyrimido[5,4-c]quinoline (CID 141367138) is 3-(3-chlorophenyl)-1-cyclopentyl-7-methoxy-2,4-dihydropyrimido[5,4-c]quinoline.
What is the SMILES notation for 3-(3-chlorophenyl)-1-cyclopentyl-7-methoxy-2,4-dihydropyrimido[5,4-c]quinoline?
The canonical SMILES for 3-(3-chlorophenyl)-1-cyclopentyl-7-methoxy-2,4-dihydropyrimido[5,4-c]quinoline is COc1cccc2c3c(cnc12)CN(c1cccc(Cl)c1)CN3C1CCCC1.
What is the InChIKey of 3-(3-chlorophenyl)-1-cyclopentyl-7-methoxy-2,4-dihydropyrimido[5,4-c]quinoline?
The InChIKey is PSSYIIAZCYWFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O/c1-28-21-11-5-10-20-22(21)25-13-16-14-26(19-9-4-6-17(24)12-19)15-27(23(16)20)18-7-2-3-8-18/h4-6,9-13,18H,2-3,7-8,14-15H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-1-cyclopentyl-7-methoxy-2,4-dihydropyrimido[5,4-c]quinoline?
3-(3-chlorophenyl)-1-cyclopentyl-7-methoxy-2,4-dihydropyrimido[5,4-c]quinoline has a molecular weight of 393.92 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-cyclopentyl-7-methoxy-2,4-dihydropyrimido[5,4-c]quinoline is sourced from PubChem (CID 141367138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).