N-(2-phenoxy-2-phenylethyl)quinazolin-4-amine

C22H19N3O — CID 121380379

IUPACN-(2-phenoxy-2-phenylethyl)quinazolin-4-amine
SMILESc1ccc(OC(CNc2ncnc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C22H19N3O/c1-3-9-17(10-4-1)21(26-18-11-5-2-6-12-18)15-23-22-19-13-7-8-14-20(19)24-16-25-22/h1-14,16,21H,15H2,(H,23,24,25)
InChIKeyTYHQYHICYFTHAC-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.86
Rot. Bonds6

About N-(2-phenoxy-2-phenylethyl)quinazolin-4-amine

N-(2-phenoxy-2-phenylethyl)quinazolin-4-amine (PubChem CID 121380379) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(2-phenoxy-2-phenylethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2-phenoxy-2-phenylethyl)quinazolin-4-amine
PubChem CID121380379
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC NameN-(2-phenoxy-2-phenylethyl)quinazolin-4-amine
SMILESc1ccc(OC(CNc2ncnc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C22H19N3O/c1-3-9-17(10-4-1)21(26-18-11-5-2-6-12-18)15-23-22-19-13-7-8-14-20(19)24-16-25-22/h1-14,16,21H,15H2,(H,23,24,25)
InChIKeyTYHQYHICYFTHAC-UHFFFAOYSA-N
XLogP4.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol
CID 93317181
N-[2-(4-phenylphenoxy)propyl]quinazolin-4-amine
CID 20545319
N-(10-phenoxydecyl)quinazolin-4-amine
CID 20545322
N-[(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethyl]benzamide
CID 121377408
3-methyl-1-(quinazolin-4-ylamino)butan-2-ol
CID 113240545
3-ethyl-1-N-quinazolin-4-ylpentane-1,2-diamine
CID 106286875
1-(4-aminophenyl)-2-(quinazolin-4-ylamino)ethanol
CID 60894016
2-[(quinazolin-4-ylamino)methyl]butanoic acid
CID 65226835
N-[2-(2-chlorophenoxy)propyl]quinazolin-4-amine
CID 12928989
N-(2-phenylmethoxyethyl)quinazolin-4-amine
CID 12928829
3-methyl-4-(quinazolin-4-ylamino)butan-1-ol
CID 66106208
N-[3-(3-methylphenoxy)propyl]quinazolin-4-amine
CID 12928959

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxy-2-phenylethyl)quinazolin-4-amine?
The IUPAC name of N-(2-phenoxy-2-phenylethyl)quinazolin-4-amine (CID 121380379) is N-(2-phenoxy-2-phenylethyl)quinazolin-4-amine.
What is the SMILES notation for N-(2-phenoxy-2-phenylethyl)quinazolin-4-amine?
The canonical SMILES for N-(2-phenoxy-2-phenylethyl)quinazolin-4-amine is c1ccc(OC(CNc2ncnc3ccccc23)c2ccccc2)cc1.
What is the InChIKey of N-(2-phenoxy-2-phenylethyl)quinazolin-4-amine?
The InChIKey is TYHQYHICYFTHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-3-9-17(10-4-1)21(26-18-11-5-2-6-12-18)15-23-22-19-13-7-8-14-20(19)24-16-25-22/h1-14,16,21H,15H2,(H,23,24,25).
What are the key properties of N-(2-phenoxy-2-phenylethyl)quinazolin-4-amine?
N-(2-phenoxy-2-phenylethyl)quinazolin-4-amine has a molecular weight of 341.41 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxy-2-phenylethyl)quinazolin-4-amine is sourced from PubChem (CID 121380379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).