N-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine

C22H19N3O — CID 2459759

IUPACN-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine
SMILESCCOc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C22H19N3O/c1-2-26-18-14-12-17(13-15-18)23-22-19-10-6-7-11-20(19)24-21(25-22)16-8-4-3-5-9-16/h3-15H,2H2,1H3,(H,23,24,25)
InChIKeyUSAACOUNJDMUBR-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.44
Rot. Bonds5

About N-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine

N-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine (PubChem CID 2459759) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine
PubChem CID2459759
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC NameN-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine
SMILESCCOc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C22H19N3O/c1-2-26-18-14-12-17(13-15-18)23-22-19-10-6-7-11-20(19)24-21(25-22)16-8-4-3-5-9-16/h3-15H,2H2,1H3,(H,23,24,25)
InChIKeyUSAACOUNJDMUBR-UHFFFAOYSA-N
XLogP5.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Verubulin
CID 11414799
5-{[1-(2-Fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
CID 23729147
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
CP-31398
CID 9950868
Evp4593
CID 509554
Acridine, 9-(p-anisidino)-
CID 43640
Src Kinase Inhibitor I
CID 1474853
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
5-(2-Fluorobenzyloxy)quinazoline-2,4-diamine
CID 24778025
N-(4-Phenoxyphenyl)-4-quinazolinamine
CID 712152
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
2,4-Quinazolinediamine, 5-ethoxy-
CID 461900

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine?
The IUPAC name of N-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine (CID 2459759) is N-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine is CCOc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine?
The InChIKey is USAACOUNJDMUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-2-26-18-14-12-17(13-15-18)23-22-19-10-6-7-11-20(19)24-21(25-22)16-8-4-3-5-9-16/h3-15H,2H2,1H3,(H,23,24,25).
What are the key properties of N-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine?
N-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine has a molecular weight of 341.41 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine is sourced from PubChem (CID 2459759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).