7-methoxy-N-(4-piperidin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine

C23H28N4O — CID 5330308

IUPAC7-methoxy-N-(4-piperidin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine
SMILESCOc1ccc2cnc(Nc3ccc(N4CCCCC4)cc3)nc2c1C(C)C
InChIInChI=1S/C23H28N4O/c1-16(2)21-20(28-3)12-7-17-15-24-23(26-22(17)21)25-18-8-10-19(11-9-18)27-13-5-4-6-14-27/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,24,25,26)
InChIKeyZSJPNTIUGSZAOV-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.50
Rot. Bonds5

About 7-methoxy-N-(4-piperidin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine

7-methoxy-N-(4-piperidin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine (PubChem CID 5330308) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 7-methoxy-N-(4-piperidin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine.

Molecular Properties

Compound Name7-methoxy-N-(4-piperidin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine
PubChem CID5330308
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name7-methoxy-N-(4-piperidin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine
SMILESCOc1ccc2cnc(Nc3ccc(N4CCCCC4)cc3)nc2c1C(C)C
InChIInChI=1S/C23H28N4O/c1-16(2)21-20(28-3)12-7-17-15-24-23(26-22(17)21)25-18-8-10-19(11-9-18)27-13-5-4-6-14-27/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,24,25,26)
InChIKeyZSJPNTIUGSZAOV-UHFFFAOYSA-N
XLogP5.50
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.50
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 7-methoxy-N-(4-piperidin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine?
The IUPAC name of 7-methoxy-N-(4-piperidin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine (CID 5330308) is 7-methoxy-N-(4-piperidin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine.
What is the SMILES notation for 7-methoxy-N-(4-piperidin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine?
The canonical SMILES for 7-methoxy-N-(4-piperidin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine is COc1ccc2cnc(Nc3ccc(N4CCCCC4)cc3)nc2c1C(C)C.
What is the InChIKey of 7-methoxy-N-(4-piperidin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine?
The InChIKey is ZSJPNTIUGSZAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-16(2)21-20(28-3)12-7-17-15-24-23(26-22(17)21)25-18-8-10-19(11-9-18)27-13-5-4-6-14-27/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,24,25,26).
What are the key properties of 7-methoxy-N-(4-piperidin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine?
7-methoxy-N-(4-piperidin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine has a molecular weight of 376.50 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(4-piperidin-1-ylphenyl)-8-propan-2-ylquinazolin-2-amine is sourced from PubChem (CID 5330308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).