methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamic acid

C18H14F3N3O2 — CID 137425160

IUPACmethyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamic acid
SMILESCc1cc(-c2ncc3cc(C(F)(F)F)ccc3n2)ccc1N(C)C(=O)O
InChIInChI=1S/C18H14F3N3O2/c1-10-7-11(3-6-15(10)24(2)17(25)26)16-22-9-12-8-13(18(19,20)21)4-5-14(12)23-16/h3-9H,1-2H3,(H,25,26)
InChIKeyYAKQOWDVYWQYRY-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.74
Rot. Bonds2

About methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamic acid

methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamic acid (PubChem CID 137425160) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamic acid
PubChem CID137425160
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Namemethyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamic acid
SMILESCc1cc(-c2ncc3cc(C(F)(F)F)ccc3n2)ccc1N(C)C(=O)O
InChIInChI=1S/C18H14F3N3O2/c1-10-7-11(3-6-15(10)24(2)17(25)26)16-22-9-12-8-13(18(19,20)21)4-5-14(12)23-16/h3-9H,1-2H3,(H,25,26)
InChIKeyYAKQOWDVYWQYRY-UHFFFAOYSA-N
XLogP4.74
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-2H-triazole-4-carboxamide
CID 137425130
methyl 1-methyl-5-[methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamoyl]pyrazole-3-carboxylate
CID 137425297
2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]aniline
CID 137425224
2-(2,3-dihydro-1H-tetrazol-5-ylmethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide
CID 142520430
N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-1H-pyrazole-5-carboxamide
CID 137434662
N,2-dimethyl-N-[2-methyl-4-[6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]pyrazole-3-carboxamide
CID 137425541
5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 139392520
2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide
CID 137425322
1-(2-hydroxyethyl)-4-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-5-sulfonamide
CID 139392239
5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
CID 150786824
2-(2-hydroxypropan-2-yl)-3-methyl-5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 139392116
tert-butyl 2-[7-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-8-oxo-5,6-dihydropyrazolo[3,4-f][1,4]oxazepin-2-yl]acetate
CID 139392292

Frequently Asked Questions

What is the IUPAC name of methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamic acid?
The IUPAC name of methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamic acid (CID 137425160) is methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamic acid.
What is the SMILES notation for methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamic acid?
The canonical SMILES for methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamic acid is Cc1cc(-c2ncc3cc(C(F)(F)F)ccc3n2)ccc1N(C)C(=O)O.
What is the InChIKey of methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamic acid?
The InChIKey is YAKQOWDVYWQYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-10-7-11(3-6-15(10)24(2)17(25)26)16-22-9-12-8-13(18(19,20)21)4-5-14(12)23-16/h3-9H,1-2H3,(H,25,26).
What are the key properties of methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamic acid?
methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamic acid has a molecular weight of 361.32 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamic acid is sourced from PubChem (CID 137425160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).