N-(3-fluorophenyl)-N-phenylmethoxyquinazolin-4-amine

C21H16FN3O — CID 54427672

IUPACN-(3-fluorophenyl)-N-phenylmethoxyquinazolin-4-amine
SMILESFc1cccc(N(OCc2ccccc2)c2ncnc3ccccc23)c1
InChIInChI=1S/C21H16FN3O/c22-17-9-6-10-18(13-17)25(26-14-16-7-2-1-3-8-16)21-19-11-4-5-12-20(19)23-15-24-21/h1-13,15H,14H2
InChIKeyWFGVADSNSGRGIZ-UHFFFAOYSA-N
MW345.38 g/mol
LogP5.04
Rot. Bonds5

About N-(3-fluorophenyl)-N-phenylmethoxyquinazolin-4-amine

N-(3-fluorophenyl)-N-phenylmethoxyquinazolin-4-amine (PubChem CID 54427672) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-phenylmethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-phenylmethoxyquinazolin-4-amine
PubChem CID54427672
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC NameN-(3-fluorophenyl)-N-phenylmethoxyquinazolin-4-amine
SMILESFc1cccc(N(OCc2ccccc2)c2ncnc3ccccc23)c1
InChIInChI=1S/C21H16FN3O/c22-17-9-6-10-18(13-17)25(26-14-16-7-2-1-3-8-16)21-19-11-4-5-12-20(19)23-15-24-21/h1-13,15H,14H2
InChIKeyWFGVADSNSGRGIZ-UHFFFAOYSA-N
XLogP5.04
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.38
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluorophenyl)-N-methyl-2-phenylquinazolin-4-amine
CID 155530897
1-(4-Fluorophenyl)-1-quinazolin-4-ylethanol
CID 53385741
US10167270, Example 141
CID 124168360
N-[(3-fluorophenyl)methyl]-N-methylquinazolin-4-amine
CID 17455534
N-(4-fluorophenyl)-4-imino-3-phenylmethoxypyrimido[5,4-d]pyrimidin-8-amine
CID 44478038
N-ethyl-N-(4-fluorophenyl-1-methoxy)-3-isoquinolinamine
CID 129875089
2,2-difluoro-N,N,4,5-tetraphenyl-3-oxa-9-aza-1-azonia-2-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraen-8-amine
CID 139168212
1,2-Diphenyl-1-quinazolin-4-ylethanol
CID 10687590
(2R)-2-phenyl-4-quinazolin-4-ylmorpholine
CID 36722979
3-[(6,7-Difluoroquinazolin-4-yl)-methylamino]-3-phenylpropan-1-ol
CID 72112211
N-[(1R)-1-phenyl-2-phenylmethoxyethyl]quinazolin-4-amine
CID 95981456
4-(4-Fluorophenyl)-1-[4-(quinazolin-4-ylamino)phenyl]piperidin-4-ol
CID 163201876

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-phenylmethoxyquinazolin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-N-phenylmethoxyquinazolin-4-amine (CID 54427672) is N-(3-fluorophenyl)-N-phenylmethoxyquinazolin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-N-phenylmethoxyquinazolin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-N-phenylmethoxyquinazolin-4-amine is Fc1cccc(N(OCc2ccccc2)c2ncnc3ccccc23)c1.
What is the InChIKey of N-(3-fluorophenyl)-N-phenylmethoxyquinazolin-4-amine?
The InChIKey is WFGVADSNSGRGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c22-17-9-6-10-18(13-17)25(26-14-16-7-2-1-3-8-16)21-19-11-4-5-12-20(19)23-15-24-21/h1-13,15H,14H2.
What are the key properties of N-(3-fluorophenyl)-N-phenylmethoxyquinazolin-4-amine?
N-(3-fluorophenyl)-N-phenylmethoxyquinazolin-4-amine has a molecular weight of 345.38 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N-phenylmethoxyquinazolin-4-amine is sourced from PubChem (CID 54427672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).