1-cyclopentyl-7-methoxy-3-propyl-2,4-dihydropyrimido[5,4-c]quinoline

C20H27N3O — CID 141240338

IUPAC1-cyclopentyl-7-methoxy-3-propyl-2,4-dihydropyrimido[5,4-c]quinoline
SMILESCCCN1Cc2cnc3c(OC)cccc3c2N(C2CCCC2)C1
InChIInChI=1S/C20H27N3O/c1-3-11-22-13-15-12-21-19-17(9-6-10-18(19)24-2)20(15)23(14-22)16-7-4-5-8-16/h6,9-10,12,16H,3-5,7-8,11,13-14H2,1-2H3
InChIKeyBKUSOPCQEAESET-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.18
Rot. Bonds4

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

1-cyclopentyl-7-methoxy-3-propyl-2,4-dihydropyrimido[5,4-c]quinoline (PubChem CID 141240338) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-cyclopentyl-7-methoxy-3-propyl-2,4-dihydropyrimido[5,4-c]quinoline.

Molecular Properties

Compound Name1-cyclopentyl-7-methoxy-3-propyl-2,4-dihydropyrimido[5,4-c]quinoline
PubChem CID141240338
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-cyclopentyl-7-methoxy-3-propyl-2,4-dihydropyrimido[5,4-c]quinoline
SMILESCCCN1Cc2cnc3c(OC)cccc3c2N(C2CCCC2)C1
InChIInChI=1S/C20H27N3O/c1-3-11-22-13-15-12-21-19-17(9-6-10-18(19)24-2)20(15)23(14-22)16-7-4-5-8-16/h6,9-10,12,16H,3-5,7-8,11,13-14H2,1-2H3
InChIKeyBKUSOPCQEAESET-UHFFFAOYSA-N
XLogP4.18
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-7-methoxy-3-propyl-2,4-dihydropyrimido[5,4-c]quinoline?
The IUPAC name of 1-cyclopentyl-7-methoxy-3-propyl-2,4-dihydropyrimido[5,4-c]quinoline (CID 141240338) is 1-cyclopentyl-7-methoxy-3-propyl-2,4-dihydropyrimido[5,4-c]quinoline.
What is the SMILES notation for 1-cyclopentyl-7-methoxy-3-propyl-2,4-dihydropyrimido[5,4-c]quinoline?
The canonical SMILES for 1-cyclopentyl-7-methoxy-3-propyl-2,4-dihydropyrimido[5,4-c]quinoline is CCCN1Cc2cnc3c(OC)cccc3c2N(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-7-methoxy-3-propyl-2,4-dihydropyrimido[5,4-c]quinoline?
The InChIKey is BKUSOPCQEAESET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-11-22-13-15-12-21-19-17(9-6-10-18(19)24-2)20(15)23(14-22)16-7-4-5-8-16/h6,9-10,12,16H,3-5,7-8,11,13-14H2,1-2H3.
What are the key properties of 1-cyclopentyl-7-methoxy-3-propyl-2,4-dihydropyrimido[5,4-c]quinoline?
1-cyclopentyl-7-methoxy-3-propyl-2,4-dihydropyrimido[5,4-c]quinoline has a molecular weight of 325.46 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-7-methoxy-3-propyl-2,4-dihydropyrimido[5,4-c]quinoline is sourced from PubChem (CID 141240338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).