7-methoxy-2-methyl-6-[[(2R)-oxolan-2-yl]methoxy]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinazolin-4-amine

C22H23F3N4O3 — CID 170146464

IUPAC7-methoxy-2-methyl-6-[[(2R)-oxolan-2-yl]methoxy]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NCc3ccnc(C(F)(F)F)c3)c2cc1OC[C@H]1CCCO1
InChIInChI=1S/C22H23F3N4O3/c1-13-28-17-10-18(30-2)19(32-12-15-4-3-7-31-15)9-16(17)21(29-13)27-11-14-5-6-26-20(8-14)22(23,24)25/h5-6,8-10,15H,3-4,7,11-12H2,1-2H3,(H,27,28,29)/t15-/m1/s1
InChIKeyDJAKGMPCSSZWOH-OAHLLOKOSA-N
MW448.45 g/mol
LogP4.53
Rot. Bonds7

About 7-methoxy-2-methyl-6-[[(2R)-oxolan-2-yl]methoxy]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinazolin-4-amine

7-methoxy-2-methyl-6-[[(2R)-oxolan-2-yl]methoxy]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinazolin-4-amine (PubChem CID 170146464) has the molecular formula C22H23F3N4O3 and a molecular weight of 448.45 g/mol. Its IUPAC name is 7-methoxy-2-methyl-6-[[(2R)-oxolan-2-yl]methoxy]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-methoxy-2-methyl-6-[[(2R)-oxolan-2-yl]methoxy]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinazolin-4-amine
PubChem CID170146464
Molecular FormulaC22H23F3N4O3
Molecular Weight448.45 g/mol
Exact Mass448.17
IUPAC Name7-methoxy-2-methyl-6-[[(2R)-oxolan-2-yl]methoxy]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NCc3ccnc(C(F)(F)F)c3)c2cc1OC[C@H]1CCCO1
InChIInChI=1S/C22H23F3N4O3/c1-13-28-17-10-18(30-2)19(32-12-15-4-3-7-31-15)9-16(17)21(29-13)27-11-14-5-6-26-20(8-14)22(23,24)25/h5-6,8-10,15H,3-4,7,11-12H2,1-2H3,(H,27,28,29)/t15-/m1/s1
InChIKeyDJAKGMPCSSZWOH-OAHLLOKOSA-N
XLogP4.53
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-methoxy-2-methyl-6-[[(2R)-oxolan-2-yl]methoxy]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

6-[[(2S)-1,4-dioxan-2-yl]methoxy]-7-methoxy-2-methyl-N-[(2-methyl-4-pyridinyl)methyl]quinazolin-4-amine
CID 170146928
6,7-dimethoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146944
N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-7-methoxy-2-methyl-6-[2-(oxolan-3-yl)propan-2-yloxy]quinazolin-4-amine
CID 170146992
7-methoxy-2-methyl-6-[2-(oxetan-3-yloxy)ethoxy]-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146381
N-[[3-[(E)-2-cyclopropylethenyl]phenyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 142433057
7-methoxy-2-methyl-6-[2-(trifluoromethoxy)ethoxy]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine
CID 170146898
N-[[4-amino-6-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 170146414
N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2,3-dimethoxypropoxy)-7-methoxy-2-methylquinazolin-4-amine
CID 170146881
7-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine
CID 170146531
6,7-dimethoxy-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine
CID 117090820
[7-methoxy-2-methyl-6-(oxolan-2-ylmethoxy)quinazolin-4-yl] 2,4,6-tripropylbenzenesulfonate
CID 167258705
4-fluoro-3-[[6-methoxy-7-(oxolan-2-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenol
CID 118112194

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-6-[[(2R)-oxolan-2-yl]methoxy]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinazolin-4-amine?
The IUPAC name of 7-methoxy-2-methyl-6-[[(2R)-oxolan-2-yl]methoxy]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinazolin-4-amine (CID 170146464) is 7-methoxy-2-methyl-6-[[(2R)-oxolan-2-yl]methoxy]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinazolin-4-amine.
What is the SMILES notation for 7-methoxy-2-methyl-6-[[(2R)-oxolan-2-yl]methoxy]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinazolin-4-amine?
The canonical SMILES for 7-methoxy-2-methyl-6-[[(2R)-oxolan-2-yl]methoxy]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinazolin-4-amine is COc1cc2nc(C)nc(NCc3ccnc(C(F)(F)F)c3)c2cc1OC[C@H]1CCCO1.
What is the InChIKey of 7-methoxy-2-methyl-6-[[(2R)-oxolan-2-yl]methoxy]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinazolin-4-amine?
The InChIKey is DJAKGMPCSSZWOH-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23F3N4O3/c1-13-28-17-10-18(30-2)19(32-12-15-4-3-7-31-15)9-16(17)21(29-13)27-11-14-5-6-26-20(8-14)22(23,24)25/h5-6,8-10,15H,3-4,7,11-12H2,1-2H3,(H,27,28,29)/t15-/m1/s1.
What are the key properties of 7-methoxy-2-methyl-6-[[(2R)-oxolan-2-yl]methoxy]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinazolin-4-amine?
7-methoxy-2-methyl-6-[[(2R)-oxolan-2-yl]methoxy]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinazolin-4-amine has a molecular weight of 448.45 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-6-[[(2R)-oxolan-2-yl]methoxy]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinazolin-4-amine is sourced from PubChem (CID 170146464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).