6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride

C24H21ClF3N3O3 — CID 44523346

IUPAC6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride
SMILESCOc1cc2ncnc(Nc3ccc(OCc4ccccc4)c(C(F)(F)F)c3)c2cc1OC.Cl
InChIInChI=1S/C24H20F3N3O3.ClH/c1-31-21-11-17-19(12-22(21)32-2)28-14-29-23(17)30-16-8-9-20(18(10-16)24(25,26)27)33-13-15-6-4-3-5-7-15;/h3-12,14H,13H2,1-2H3,(H,28,29,30);1H
InChIKeyNICAPYFPZUQRSX-UHFFFAOYSA-N
MW491.90 g/mol
LogP6.41
Rot. Bonds7

About 6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride

6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride (PubChem CID 44523346) has the molecular formula C24H21ClF3N3O3 and a molecular weight of 491.90 g/mol. Its IUPAC name is 6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound Name6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride
PubChem CID44523346
Molecular FormulaC24H21ClF3N3O3
Molecular Weight491.90 g/mol
Exact Mass491.12
IUPAC Name6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride
SMILESCOc1cc2ncnc(Nc3ccc(OCc4ccccc4)c(C(F)(F)F)c3)c2cc1OC.Cl
InChIInChI=1S/C24H20F3N3O3.ClH/c1-31-21-11-17-19(12-22(21)32-2)28-14-29-23(17)30-16-8-9-20(18(10-16)24(25,26)27)33-13-15-6-4-3-5-7-15;/h3-12,14H,13H2,1-2H3,(H,28,29,30);1H
InChIKeyNICAPYFPZUQRSX-UHFFFAOYSA-N
XLogP6.41
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.90
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
N-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22030547
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine
CID 145172254
N-[4-[[(3S,3aR,6S,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-chlorophenyl]-6,7-dimethoxyquinazolin-4-amine
CID 126646672
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22478265
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;2-methylpropan-1-amine
CID 145172275
N-(2-bromo-4-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine
CID 141250948
N-[7-methoxy-4-(4-phenylmethoxyanilino)quinazolin-6-yl]propanamide
CID 134138310
5,6-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698116
N-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine
CID 56981677
(2R,3R,4R,5R)-2-fluoro-5-[4-[4-fluoro-3-(trifluoromethyl)anilino]-6-methoxyquinazolin-7-yl]oxyhexane-1,3,4,6-tetrol
CID 140867591
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride?
The IUPAC name of 6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride (CID 44523346) is 6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride.
What is the SMILES notation for 6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride?
The canonical SMILES for 6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride is COc1cc2ncnc(Nc3ccc(OCc4ccccc4)c(C(F)(F)F)c3)c2cc1OC.Cl.
What is the InChIKey of 6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride?
The InChIKey is NICAPYFPZUQRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O3.ClH/c1-31-21-11-17-19(12-22(21)32-2)28-14-29-23(17)30-16-8-9-20(18(10-16)24(25,26)27)33-13-15-6-4-3-5-7-15;/h3-12,14H,13H2,1-2H3,(H,28,29,30);1H.
What are the key properties of 6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride?
6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride has a molecular weight of 491.90 g/mol, XLogP of 6.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 44523346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).