8-cyclopentyl-7-methoxy-5-methyl-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine

C25H31N5O — CID 5330326

IUPAC8-cyclopentyl-7-methoxy-5-methyl-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine
SMILESCOc1cc(C)c2cnc(Nc3ccc(N4CCNCC4)cc3)nc2c1C1CCCC1
InChIInChI=1S/C25H31N5O/c1-17-15-22(31-2)23(18-5-3-4-6-18)24-21(17)16-27-25(29-24)28-19-7-9-20(10-8-19)30-13-11-26-12-14-30/h7-10,15-16,18,26H,3-6,11-14H2,1-2H3,(H,27,28,29)
InChIKeyLYMIHMQNWRKLHN-UHFFFAOYSA-N
MW417.56 g/mol
LogP4.76
Rot. Bonds5

About 8-cyclopentyl-7-methoxy-5-methyl-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine

8-cyclopentyl-7-methoxy-5-methyl-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine (PubChem CID 5330326) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is 8-cyclopentyl-7-methoxy-5-methyl-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine.

Molecular Properties

Compound Name8-cyclopentyl-7-methoxy-5-methyl-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine
PubChem CID5330326
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC Name8-cyclopentyl-7-methoxy-5-methyl-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine
SMILESCOc1cc(C)c2cnc(Nc3ccc(N4CCNCC4)cc3)nc2c1C1CCCC1
InChIInChI=1S/C25H31N5O/c1-17-15-22(31-2)23(18-5-3-4-6-18)24-21(17)16-27-25(29-24)28-19-7-9-20(10-8-19)30-13-11-26-12-14-30/h7-10,15-16,18,26H,3-6,11-14H2,1-2H3,(H,27,28,29)
InChIKeyLYMIHMQNWRKLHN-UHFFFAOYSA-N
XLogP4.76
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-5-methyl-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine?
The IUPAC name of 8-cyclopentyl-7-methoxy-5-methyl-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine (CID 5330326) is 8-cyclopentyl-7-methoxy-5-methyl-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine.
What is the SMILES notation for 8-cyclopentyl-7-methoxy-5-methyl-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine?
The canonical SMILES for 8-cyclopentyl-7-methoxy-5-methyl-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine is COc1cc(C)c2cnc(Nc3ccc(N4CCNCC4)cc3)nc2c1C1CCCC1.
What is the InChIKey of 8-cyclopentyl-7-methoxy-5-methyl-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine?
The InChIKey is LYMIHMQNWRKLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O/c1-17-15-22(31-2)23(18-5-3-4-6-18)24-21(17)16-27-25(29-24)28-19-7-9-20(10-8-19)30-13-11-26-12-14-30/h7-10,15-16,18,26H,3-6,11-14H2,1-2H3,(H,27,28,29).
What are the key properties of 8-cyclopentyl-7-methoxy-5-methyl-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine?
8-cyclopentyl-7-methoxy-5-methyl-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine has a molecular weight of 417.56 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-7-methoxy-5-methyl-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine is sourced from PubChem (CID 5330326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).