N-[(1R)-1-phenyl-2-phenylmethoxyethyl]quinazolin-4-amine

C23H21N3O — CID 95981456

IUPACN-[(1R)-1-phenyl-2-phenylmethoxyethyl]quinazolin-4-amine
SMILESc1ccc(COC[C@H](Nc2ncnc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C23H21N3O/c1-3-9-18(10-4-1)15-27-16-22(19-11-5-2-6-12-19)26-23-20-13-7-8-14-21(20)24-17-25-23/h1-14,17,22H,15-16H2,(H,24,25,26)/t22-/m0/s1
InChIKeyHSQWEOMIXUJFNH-QFIPXVFZSA-N
MW355.44 g/mol
LogP5.00
Rot. Bonds7

About N-[(1R)-1-phenyl-2-phenylmethoxyethyl]quinazolin-4-amine

N-[(1R)-1-phenyl-2-phenylmethoxyethyl]quinazolin-4-amine (PubChem CID 95981456) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(1R)-1-phenyl-2-phenylmethoxyethyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-phenyl-2-phenylmethoxyethyl]quinazolin-4-amine
PubChem CID95981456
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC NameN-[(1R)-1-phenyl-2-phenylmethoxyethyl]quinazolin-4-amine
SMILESc1ccc(COC[C@H](Nc2ncnc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C23H21N3O/c1-3-9-18(10-4-1)15-27-16-22(19-11-5-2-6-12-19)26-23-20-13-7-8-14-21(20)24-17-25-23/h1-14,17,22H,15-16H2,(H,24,25,26)/t22-/m0/s1
InChIKeyHSQWEOMIXUJFNH-QFIPXVFZSA-N
XLogP5.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenyl-2-phenylmethoxyethyl]quinazolin-4-amine?
The IUPAC name of N-[(1R)-1-phenyl-2-phenylmethoxyethyl]quinazolin-4-amine (CID 95981456) is N-[(1R)-1-phenyl-2-phenylmethoxyethyl]quinazolin-4-amine.
What is the SMILES notation for N-[(1R)-1-phenyl-2-phenylmethoxyethyl]quinazolin-4-amine?
The canonical SMILES for N-[(1R)-1-phenyl-2-phenylmethoxyethyl]quinazolin-4-amine is c1ccc(COC[C@H](Nc2ncnc3ccccc23)c2ccccc2)cc1.
What is the InChIKey of N-[(1R)-1-phenyl-2-phenylmethoxyethyl]quinazolin-4-amine?
The InChIKey is HSQWEOMIXUJFNH-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H21N3O/c1-3-9-18(10-4-1)15-27-16-22(19-11-5-2-6-12-19)26-23-20-13-7-8-14-21(20)24-17-25-23/h1-14,17,22H,15-16H2,(H,24,25,26)/t22-/m0/s1.
What are the key properties of N-[(1R)-1-phenyl-2-phenylmethoxyethyl]quinazolin-4-amine?
N-[(1R)-1-phenyl-2-phenylmethoxyethyl]quinazolin-4-amine has a molecular weight of 355.44 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenyl-2-phenylmethoxyethyl]quinazolin-4-amine is sourced from PubChem (CID 95981456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).