N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine

C16H14FN3O2 — CID 70190585

IUPACN-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine
SMILESCOc1cc2cnc(Nc3ccccc3F)nc2cc1OC
InChIInChI=1S/C16H14FN3O2/c1-21-14-7-10-9-18-16(20-13(10)8-15(14)22-2)19-12-6-4-3-5-11(12)17/h3-9H,1-2H3,(H,18,19,20)
InChIKeyHKMFZZIWJRGTME-UHFFFAOYSA-N
MW299.31 g/mol
LogP3.53
Rot. Bonds4

About N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine

N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine (PubChem CID 70190585) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine
PubChem CID70190585
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC NameN-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine
SMILESCOc1cc2cnc(Nc3ccccc3F)nc2cc1OC
InChIInChI=1S/C16H14FN3O2/c1-21-14-7-10-9-18-16(20-13(10)8-15(14)22-2)19-12-6-4-3-5-11(12)17/h3-9H,1-2H3,(H,18,19,20)
InChIKeyHKMFZZIWJRGTME-UHFFFAOYSA-N
XLogP3.53
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-benzyl-4-N-(6,7-dimethoxyquinazolin-2-yl)benzene-1,4-diamine
CID 67698095
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-2-amine
CID 68746368
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(3-pyridin-4-ylprop-2-enoxy)quinazolin-2-amine
CID 91546336
N-(3-ethynylphenyl)-6,7-dimethoxyquinazolin-2-amine
CID 150674424
2-bromo-4-[(6,7-dimethoxyquinazolin-2-yl)amino]phenol
CID 54042004
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)pyrimidin-2-amine
CID 112899619
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(2-fluorophenyl)pyrimidine-2,4-diamine
CID 112903458
2-(2-fluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336731
N-(2-fluorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 16804589
2-(2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109308648
5-fluoro-2-N-(2-methoxy-5-nitrophenyl)-4-N-phenylpyrimidine-2,4-diamine
CID 71014659
N-(2,3-difluorophenyl)-2-[4-[[7-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethoxy]-6-methoxyquinazolin-2-yl]amino]pyrazol-1-yl]acetamide
CID 90774192

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine?
The IUPAC name of N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine (CID 70190585) is N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine.
What is the SMILES notation for N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine?
The canonical SMILES for N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine is COc1cc2cnc(Nc3ccccc3F)nc2cc1OC.
What is the InChIKey of N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine?
The InChIKey is HKMFZZIWJRGTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-21-14-7-10-9-18-16(20-13(10)8-15(14)22-2)19-12-6-4-3-5-11(12)17/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine?
N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine has a molecular weight of 299.31 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine is sourced from PubChem (CID 70190585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).