8-cyclopentyl-7-methoxy-N-(4-piperidin-1-ylphenyl)quinazolin-2-amine

C25H30N4O — CID 5330316

IUPAC8-cyclopentyl-7-methoxy-N-(4-piperidin-1-ylphenyl)quinazolin-2-amine
SMILESCOc1ccc2cnc(Nc3ccc(N4CCCCC4)cc3)nc2c1C1CCCC1
InChIInChI=1S/C25H30N4O/c1-30-22-14-9-19-17-26-25(28-24(19)23(22)18-7-3-4-8-18)27-20-10-12-21(13-11-20)29-15-5-2-6-16-29/h9-14,17-18H,2-8,15-16H2,1H3,(H,26,27,28)
InChIKeyOOUVJZGGPJQFEB-UHFFFAOYSA-N
MW402.54 g/mol
LogP6.03
Rot. Bonds5

About 8-cyclopentyl-7-methoxy-N-(4-piperidin-1-ylphenyl)quinazolin-2-amine

8-cyclopentyl-7-methoxy-N-(4-piperidin-1-ylphenyl)quinazolin-2-amine (PubChem CID 5330316) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 8-cyclopentyl-7-methoxy-N-(4-piperidin-1-ylphenyl)quinazolin-2-amine.

Molecular Properties

Compound Name8-cyclopentyl-7-methoxy-N-(4-piperidin-1-ylphenyl)quinazolin-2-amine
PubChem CID5330316
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name8-cyclopentyl-7-methoxy-N-(4-piperidin-1-ylphenyl)quinazolin-2-amine
SMILESCOc1ccc2cnc(Nc3ccc(N4CCCCC4)cc3)nc2c1C1CCCC1
InChIInChI=1S/C25H30N4O/c1-30-22-14-9-19-17-26-25(28-24(19)23(22)18-7-3-4-8-18)27-20-10-12-21(13-11-20)29-15-5-2-6-16-29/h9-14,17-18H,2-8,15-16H2,1H3,(H,26,27,28)
InChIKeyOOUVJZGGPJQFEB-UHFFFAOYSA-N
XLogP6.03
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-7-methoxy-N-(4-piperidin-1-ylphenyl)quinazolin-2-amine?
The IUPAC name of 8-cyclopentyl-7-methoxy-N-(4-piperidin-1-ylphenyl)quinazolin-2-amine (CID 5330316) is 8-cyclopentyl-7-methoxy-N-(4-piperidin-1-ylphenyl)quinazolin-2-amine.
What is the SMILES notation for 8-cyclopentyl-7-methoxy-N-(4-piperidin-1-ylphenyl)quinazolin-2-amine?
The canonical SMILES for 8-cyclopentyl-7-methoxy-N-(4-piperidin-1-ylphenyl)quinazolin-2-amine is COc1ccc2cnc(Nc3ccc(N4CCCCC4)cc3)nc2c1C1CCCC1.
What is the InChIKey of 8-cyclopentyl-7-methoxy-N-(4-piperidin-1-ylphenyl)quinazolin-2-amine?
The InChIKey is OOUVJZGGPJQFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-30-22-14-9-19-17-26-25(28-24(19)23(22)18-7-3-4-8-18)27-20-10-12-21(13-11-20)29-15-5-2-6-16-29/h9-14,17-18H,2-8,15-16H2,1H3,(H,26,27,28).
What are the key properties of 8-cyclopentyl-7-methoxy-N-(4-piperidin-1-ylphenyl)quinazolin-2-amine?
8-cyclopentyl-7-methoxy-N-(4-piperidin-1-ylphenyl)quinazolin-2-amine has a molecular weight of 402.54 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-7-methoxy-N-(4-piperidin-1-ylphenyl)quinazolin-2-amine is sourced from PubChem (CID 5330316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).