N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)quinazolin-4-amine

C22H18FN3O2 — CID 1393536

IUPACN-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)quinazolin-4-amine
SMILESCOc1ccc(OC)c(Nc2nc(-c3ccccc3F)nc3ccccc23)c1
InChIInChI=1S/C22H18FN3O2/c1-27-14-11-12-20(28-2)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)
InChIKeyKARBXNRTAMAYQS-UHFFFAOYSA-N
MW375.40 g/mol
LogP5.20
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)quinazolin-4-amine

N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)quinazolin-4-amine (PubChem CID 1393536) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)quinazolin-4-amine
PubChem CID1393536
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)quinazolin-4-amine
SMILESCOc1ccc(OC)c(Nc2nc(-c3ccccc3F)nc3ccccc23)c1
InChIInChI=1S/C22H18FN3O2/c1-27-14-11-12-20(28-2)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)
InChIKeyKARBXNRTAMAYQS-UHFFFAOYSA-N
XLogP5.20
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.40
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)quinazolin-4-amine
CID 4523898
2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine
CID 757186
N,2-bis(2-fluorophenyl)quinazolin-4-amine
CID 757185
2-(3-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinazolin-4-amine
CID 91964516
N-(2-bromo-4-methylphenyl)-2-(2-fluorophenyl)quinazolin-4-amine
CID 3428781
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(2-fluorophenyl)quinazolin-4-amine
CID 6062421
N-(2,4-dimethoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 1126120
N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-yloxyphenyl)quinazolin-4-amine
CID 3712512
2-N,3-N-bis(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine
CID 70166799
ethyl 4-(2,5-dimethoxyanilino)quinazoline-2-carboxylate
CID 1192543
N-(2,5-dimethoxyphenyl)-4-methylquinolin-2-amine
CID 806171
5-N-(2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 2869541

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)quinazolin-4-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)quinazolin-4-amine (CID 1393536) is N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)quinazolin-4-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)quinazolin-4-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)quinazolin-4-amine is COc1ccc(OC)c(Nc2nc(-c3ccccc3F)nc3ccccc23)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)quinazolin-4-amine?
The InChIKey is KARBXNRTAMAYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-27-14-11-12-20(28-2)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 N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)quinazolin-4-amine?
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)quinazolin-4-amine has a molecular weight of 375.40 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)quinazolin-4-amine is sourced from PubChem (CID 1393536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).