N-(4-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine

C15H11ClFN3O — CID 86586464

IUPACN-(4-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine
SMILESCOc1ccc2ncnc(Nc3ccc(Cl)cc3F)c2c1
InChIInChI=1S/C15H11ClFN3O/c1-21-10-3-5-13-11(7-10)15(19-8-18-13)20-14-4-2-9(16)6-12(14)17/h2-8H,1H3,(H,18,19,20)
InChIKeyKCVORQQUVNLAND-UHFFFAOYSA-N
MW303.72 g/mol
LogP4.17
Rot. Bonds3

About N-(4-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine

N-(4-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine (PubChem CID 86586464) has the molecular formula C15H11ClFN3O and a molecular weight of 303.72 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine
PubChem CID86586464
Molecular FormulaC15H11ClFN3O
Molecular Weight303.72 g/mol
Exact Mass303.06
IUPAC NameN-(4-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine
SMILESCOc1ccc2ncnc(Nc3ccc(Cl)cc3F)c2c1
InChIInChI=1S/C15H11ClFN3O/c1-21-10-3-5-13-11(7-10)15(19-8-18-13)20-14-4-2-9(16)6-12(14)17/h2-8H,1H3,(H,18,19,20)
InChIKeyKCVORQQUVNLAND-UHFFFAOYSA-N
XLogP4.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 146246329
N-(4-chloro-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10982156
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22478265
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-amine;hydrochloride
CID 22624902
4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine
CID 65336921
N-(4-chloro-2-fluorophenyl)-7-(2-ethylsulfonylethoxy)-6-methoxyquinazolin-4-amine
CID 18753444
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[(2-methyl-4-pyridinyl)methoxy]quinazolin-4-amine
CID 22625056
N-(2,5-dichlorophenyl)-6-fluoroquinazolin-4-amine
CID 110434593
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-piperidin-4-yloxyquinazolin-4-amine;hydrochloride
CID 68906665
N-(4-chloro-2-fluorophenyl)-7-[2-(3,5-dimethyl-1,2,4-triazol-4-yl)ethoxy]quinazolin-4-amine
CID 150106082
N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 122628529
7-[[(3aS,6aR)-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-N-(4-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 58617011

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine (CID 86586464) is N-(4-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine is COc1ccc2ncnc(Nc3ccc(Cl)cc3F)c2c1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine?
The InChIKey is KCVORQQUVNLAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O/c1-21-10-3-5-13-11(7-10)15(19-8-18-13)20-14-4-2-9(16)6-12(14)17/h2-8H,1H3,(H,18,19,20).
What are the key properties of N-(4-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine?
N-(4-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine has a molecular weight of 303.72 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine is sourced from PubChem (CID 86586464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).