2-chloro-7-methoxy-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-phenylmethoxyquinazolin-4-amine

C26H23ClF3N3O2 — CID 175375942

IUPAC2-chloro-7-methoxy-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-phenylmethoxyquinazolin-4-amine
SMILESCOc1cc2nc(Cl)nc(NC(C)c3cccc(C(F)(F)F)c3C)c2cc1OCc1ccccc1
InChIInChI=1S/C26H23ClF3N3O2/c1-15-18(10-7-11-20(15)26(28,29)30)16(2)31-24-19-12-23(35-14-17-8-5-4-6-9-17)22(34-3)13-21(19)32-25(27)33-24/h4-13,16H,14H2,1-3H3,(H,31,32,33)
InChIKeyPJDMLJREVKTUNA-UHFFFAOYSA-N
MW501.94 g/mol
LogP7.37
Rot. Bonds7

About 2-chloro-7-methoxy-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-phenylmethoxyquinazolin-4-amine

2-chloro-7-methoxy-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-phenylmethoxyquinazolin-4-amine (PubChem CID 175375942) has the molecular formula C26H23ClF3N3O2 and a molecular weight of 501.94 g/mol. Its IUPAC name is 2-chloro-7-methoxy-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-phenylmethoxyquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-7-methoxy-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-phenylmethoxyquinazolin-4-amine
PubChem CID175375942
Molecular FormulaC26H23ClF3N3O2
Molecular Weight501.94 g/mol
Exact Mass501.14
IUPAC Name2-chloro-7-methoxy-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-phenylmethoxyquinazolin-4-amine
SMILESCOc1cc2nc(Cl)nc(NC(C)c3cccc(C(F)(F)F)c3C)c2cc1OCc1ccccc1
InChIInChI=1S/C26H23ClF3N3O2/c1-15-18(10-7-11-20(15)26(28,29)30)16(2)31-24-19-12-23(35-14-17-8-5-4-6-9-17)22(34-3)13-21(19)32-25(27)33-24/h4-13,16H,14H2,1-3H3,(H,31,32,33)
InChIKeyPJDMLJREVKTUNA-UHFFFAOYSA-N
XLogP7.37
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.94
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-7-methoxy-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-phenylmethoxyquinazolin-4-amine with MolForge

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Related Compounds

N-[2-[4-[[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxyethyl]-N-methylmethanesulfonamide
CID 170145963
N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-7-methoxy-6-[[1-[(1R)-1-methoxyethyl]cyclopropyl]methoxy]-2-methylquinazolin-4-amine
CID 167028916
N-benzhydryl-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22693150
2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-3-phenylpropanoic acid
CID 22693097
6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride
CID 44523346
6-dimethylphosphoryl-2-methyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-N-propan-2-ylquinazoline-4,7-diamine
CID 175261907
2-methyl-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine
CID 175944503
N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine
CID 170158881
6-bromo-2-(difluoromethyl)-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyrimidin-4-amine
CID 174191129
2-methyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-phosphoroso-7-N-(2,2,2-trifluoroethyl)quinazoline-4,7-diamine
CID 175374887
N-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-methoxy-7-(2-methoxyethoxy)-2-methylquinazolin-4-amine
CID 175443386
7-N-(cyclopropylmethyl)-6-dimethylphosphoryl-2-methyl-4-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinazoline-4,7-diamine
CID 167166046

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methoxy-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-phenylmethoxyquinazolin-4-amine?
The IUPAC name of 2-chloro-7-methoxy-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-phenylmethoxyquinazolin-4-amine (CID 175375942) is 2-chloro-7-methoxy-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-phenylmethoxyquinazolin-4-amine.
What is the SMILES notation for 2-chloro-7-methoxy-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-phenylmethoxyquinazolin-4-amine?
The canonical SMILES for 2-chloro-7-methoxy-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-phenylmethoxyquinazolin-4-amine is COc1cc2nc(Cl)nc(NC(C)c3cccc(C(F)(F)F)c3C)c2cc1OCc1ccccc1.
What is the InChIKey of 2-chloro-7-methoxy-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-phenylmethoxyquinazolin-4-amine?
The InChIKey is PJDMLJREVKTUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClF3N3O2/c1-15-18(10-7-11-20(15)26(28,29)30)16(2)31-24-19-12-23(35-14-17-8-5-4-6-9-17)22(34-3)13-21(19)32-25(27)33-24/h4-13,16H,14H2,1-3H3,(H,31,32,33).
What are the key properties of 2-chloro-7-methoxy-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-phenylmethoxyquinazolin-4-amine?
2-chloro-7-methoxy-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-phenylmethoxyquinazolin-4-amine has a molecular weight of 501.94 g/mol, XLogP of 7.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methoxy-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-phenylmethoxyquinazolin-4-amine is sourced from PubChem (CID 175375942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).