N-(4-phenylmethoxyphenyl)-6-prop-2-enoxyquinazolin-4-amine

C24H21N3O2 — CID 5329485

IUPACN-(4-phenylmethoxyphenyl)-6-prop-2-enoxyquinazolin-4-amine
SMILESC=CCOc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
InChIInChI=1S/C24H21N3O2/c1-2-14-28-21-12-13-23-22(15-21)24(26-17-25-23)27-19-8-10-20(11-9-19)29-16-18-6-4-3-5-7-18/h2-13,15,17H,1,14,16H2,(H,25,26,27)
InChIKeyPNZSTSKDYDRMIY-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.52
Rot. Bonds8

About N-(4-phenylmethoxyphenyl)-6-prop-2-enoxyquinazolin-4-amine

N-(4-phenylmethoxyphenyl)-6-prop-2-enoxyquinazolin-4-amine (PubChem CID 5329485) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-6-prop-2-enoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-6-prop-2-enoxyquinazolin-4-amine
PubChem CID5329485
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-(4-phenylmethoxyphenyl)-6-prop-2-enoxyquinazolin-4-amine
SMILESC=CCOc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
InChIInChI=1S/C24H21N3O2/c1-2-14-28-21-12-13-23-22(15-21)24(26-17-25-23)27-19-8-10-20(11-9-19)29-16-18-6-4-3-5-7-18/h2-13,15,17H,1,14,16H2,(H,25,26,27)
InChIKeyPNZSTSKDYDRMIY-UHFFFAOYSA-N
XLogP5.52
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-6-prop-2-enoxyquinazolin-4-amine?
The IUPAC name of N-(4-phenylmethoxyphenyl)-6-prop-2-enoxyquinazolin-4-amine (CID 5329485) is N-(4-phenylmethoxyphenyl)-6-prop-2-enoxyquinazolin-4-amine.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-6-prop-2-enoxyquinazolin-4-amine?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-6-prop-2-enoxyquinazolin-4-amine is C=CCOc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-6-prop-2-enoxyquinazolin-4-amine?
The InChIKey is PNZSTSKDYDRMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-2-14-28-21-12-13-23-22(15-21)24(26-17-25-23)27-19-8-10-20(11-9-19)29-16-18-6-4-3-5-7-18/h2-13,15,17H,1,14,16H2,(H,25,26,27).
What are the key properties of N-(4-phenylmethoxyphenyl)-6-prop-2-enoxyquinazolin-4-amine?
N-(4-phenylmethoxyphenyl)-6-prop-2-enoxyquinazolin-4-amine has a molecular weight of 383.45 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)-6-prop-2-enoxyquinazolin-4-amine is sourced from PubChem (CID 5329485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).