2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)quinazolin-4-amine

C22H18FN3O — CID 4523898

IUPAC2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)quinazolin-4-amine
SMILESCOc1ccc(C)cc1Nc1nc(-c2ccccc2F)nc2ccccc12
InChIInChI=1S/C22H18FN3O/c1-14-11-12-20(27-2)19(13-14)25-22-16-8-4-6-10-18(16)24-21(26-22)15-7-3-5-9-17(15)23/h3-13H,1-2H3,(H,24,25,26)
InChIKeyKVQOJCBOXSRDCC-UHFFFAOYSA-N
MW359.40 g/mol
LogP5.50
Rot. Bonds4

About 2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)quinazolin-4-amine

2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)quinazolin-4-amine (PubChem CID 4523898) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)quinazolin-4-amine
PubChem CID4523898
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)quinazolin-4-amine
SMILESCOc1ccc(C)cc1Nc1nc(-c2ccccc2F)nc2ccccc12
InChIInChI=1S/C22H18FN3O/c1-14-11-12-20(27-2)19(13-14)25-22-16-8-4-6-10-18(16)24-21(26-22)15-7-3-5-9-17(15)23/h3-13H,1-2H3,(H,24,25,26)
InChIKeyKVQOJCBOXSRDCC-UHFFFAOYSA-N
XLogP5.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.40
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)quinazolin-4-amine
CID 1393536
N-(2-bromo-4-methylphenyl)-2-(2-fluorophenyl)quinazolin-4-amine
CID 3428781
N,2-bis(2-fluorophenyl)quinazolin-4-amine
CID 757185
N-(2-methoxy-5-methylphenyl)-2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
CID 53030152
2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine
CID 757186
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(2-fluorophenyl)quinazolin-4-amine
CID 6062421
N-(2-methoxy-5-methylphenyl)-4-methylquinolin-2-amine
CID 619056
2-[4-(2,4-dimethylanilino)quinazolin-2-yl]phenol
CID 2057502
2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine
CID 10268483
N-(2-methoxy-5-methylphenyl)-1H-indazol-3-amine
CID 166128556
2-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)quinazolin-4-amine
CID 22330512
N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-yloxyphenyl)quinazolin-4-amine
CID 3712512

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)quinazolin-4-amine?
The IUPAC name of 2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)quinazolin-4-amine (CID 4523898) is 2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)quinazolin-4-amine?
The canonical SMILES for 2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)quinazolin-4-amine is COc1ccc(C)cc1Nc1nc(-c2ccccc2F)nc2ccccc12.
What is the InChIKey of 2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)quinazolin-4-amine?
The InChIKey is KVQOJCBOXSRDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c1-14-11-12-20(27-2)19(13-14)25-22-16-8-4-6-10-18(16)24-21(26-22)15-7-3-5-9-17(15)23/h3-13H,1-2H3,(H,24,25,26).
What are the key properties of 2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)quinazolin-4-amine?
2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)quinazolin-4-amine has a molecular weight of 359.40 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)quinazolin-4-amine is sourced from PubChem (CID 4523898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).