1,1,1-trifluoro-2-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-3-[(2-methylquinazolin-5-yl)amino]propan-2-ol

C23H24F3N3O3 — CID 69340855

IUPAC1,1,1-trifluoro-2-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-3-[(2-methylquinazolin-5-yl)amino]propan-2-ol
SMILESCOc1ccc2c(c1)OCCC2CC(O)(CNc1cccc2nc(C)ncc12)C(F)(F)F
InChIInChI=1S/C23H24F3N3O3/c1-14-27-12-18-19(4-3-5-20(18)29-14)28-13-22(30,23(24,25)26)11-15-8-9-32-21-10-16(31-2)6-7-17(15)21/h3-7,10,12,15,28,30H,8-9,11,13H2,1-2H3
InChIKeyLCVVQZVVOKMWAF-UHFFFAOYSA-N
MW447.46 g/mol
LogP4.61
Rot. Bonds6

About 1,1,1-trifluoro-2-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-3-[(2-methylquinazolin-5-yl)amino]propan-2-ol

1,1,1-trifluoro-2-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-3-[(2-methylquinazolin-5-yl)amino]propan-2-ol (PubChem CID 69340855) has the molecular formula C23H24F3N3O3 and a molecular weight of 447.46 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-3-[(2-methylquinazolin-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-3-[(2-methylquinazolin-5-yl)amino]propan-2-ol
PubChem CID69340855
Molecular FormulaC23H24F3N3O3
Molecular Weight447.46 g/mol
Exact Mass447.18
IUPAC Name1,1,1-trifluoro-2-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-3-[(2-methylquinazolin-5-yl)amino]propan-2-ol
SMILESCOc1ccc2c(c1)OCCC2CC(O)(CNc1cccc2nc(C)ncc12)C(F)(F)F
InChIInChI=1S/C23H24F3N3O3/c1-14-27-12-18-19(4-3-5-20(18)29-14)28-13-22(30,23(24,25)26)11-15-8-9-32-21-10-16(31-2)6-7-17(15)21/h3-7,10,12,15,28,30H,8-9,11,13H2,1-2H3
InChIKeyLCVVQZVVOKMWAF-UHFFFAOYSA-N
XLogP4.61
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-3-[(2-methylquinazolin-5-yl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-3-[(2-methylquinazolin-5-yl)amino]propan-2-ol (CID 69340855) is 1,1,1-trifluoro-2-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-3-[(2-methylquinazolin-5-yl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-3-[(2-methylquinazolin-5-yl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-3-[(2-methylquinazolin-5-yl)amino]propan-2-ol is COc1ccc2c(c1)OCCC2CC(O)(CNc1cccc2nc(C)ncc12)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-3-[(2-methylquinazolin-5-yl)amino]propan-2-ol?
The InChIKey is LCVVQZVVOKMWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3/c1-14-27-12-18-19(4-3-5-20(18)29-14)28-13-22(30,23(24,25)26)11-15-8-9-32-21-10-16(31-2)6-7-17(15)21/h3-7,10,12,15,28,30H,8-9,11,13H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-3-[(2-methylquinazolin-5-yl)amino]propan-2-ol?
1,1,1-trifluoro-2-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-3-[(2-methylquinazolin-5-yl)amino]propan-2-ol has a molecular weight of 447.46 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[(7-methoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-3-[(2-methylquinazolin-5-yl)amino]propan-2-ol is sourced from PubChem (CID 69340855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).