N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]quinazolin-4-amine

C22H18FN3O — CID 67700032

IUPACN-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]quinazolin-4-amine
SMILESCc1cc(OCc2ccccc2F)ccc1Nc1ncnc2ccccc12
InChIInChI=1S/C22H18FN3O/c1-15-12-17(27-13-16-6-2-4-8-19(16)23)10-11-20(15)26-22-18-7-3-5-9-21(18)24-14-25-22/h2-12,14H,13H2,1H3,(H,24,25,26)
InChIKeyJWZKNRIWFIEDBD-UHFFFAOYSA-N
MW359.40 g/mol
LogP5.40
Rot. Bonds5

About N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]quinazolin-4-amine

N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]quinazolin-4-amine (PubChem CID 67700032) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]quinazolin-4-amine
PubChem CID67700032
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC NameN-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]quinazolin-4-amine
SMILESCc1cc(OCc2ccccc2F)ccc1Nc1ncnc2ccccc12
InChIInChI=1S/C22H18FN3O/c1-15-12-17(27-13-16-6-2-4-8-19(16)23)10-11-20(15)26-22-18-7-3-5-9-21(18)24-14-25-22/h2-12,14H,13H2,1H3,(H,24,25,26)
InChIKeyJWZKNRIWFIEDBD-UHFFFAOYSA-N
XLogP5.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.40
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine
CID 54450095
N-(2,4-dimethylphenyl)quinazolin-4-amine
CID 2806519
N-[2-iodo-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]quinazolin-4-amine
CID 54162273
4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline
CID 54865374
2-methyl-4-(quinolin-4-ylmethoxy)aniline
CID 79234978
N-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine
CID 67698787
N-(4-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 86586464
4-methyl-2-(quinazolin-4-ylamino)phenol
CID 725411
N-(4-ethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 16875676
N-(4-chloro-2-fluorophenyl)-7-[2-(3,5-dimethyl-1,2,4-triazol-4-yl)ethoxy]quinazolin-4-amine
CID 150106082
N-(4-bromo-2-fluorophenyl)-6-methyl-7-phenylmethoxyquinazolin-4-amine
CID 141288058
N-[(2,5-difluorophenyl)methyl]quinazolin-4-amine
CID 63373228

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]quinazolin-4-amine?
The IUPAC name of N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]quinazolin-4-amine (CID 67700032) is N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]quinazolin-4-amine.
What is the SMILES notation for N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]quinazolin-4-amine?
The canonical SMILES for N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]quinazolin-4-amine is Cc1cc(OCc2ccccc2F)ccc1Nc1ncnc2ccccc12.
What is the InChIKey of N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]quinazolin-4-amine?
The InChIKey is JWZKNRIWFIEDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c1-15-12-17(27-13-16-6-2-4-8-19(16)23)10-11-20(15)26-22-18-7-3-5-9-21(18)24-14-25-22/h2-12,14H,13H2,1H3,(H,24,25,26).
What are the key properties of N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]quinazolin-4-amine?
N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]quinazolin-4-amine has a molecular weight of 359.40 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]quinazolin-4-amine is sourced from PubChem (CID 67700032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).