8-methyl-6-(morpholin-4-ylmethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one

C20H19F3N4O2 — CID 146308981

IUPAC8-methyl-6-(morpholin-4-ylmethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one
SMILESCc1cc(CN2CCOCC2)cc2c(=O)[nH]c(-c3cc(C(F)(F)F)ccn3)nc12
InChIInChI=1S/C20H19F3N4O2/c1-12-8-13(11-27-4-6-29-7-5-27)9-15-17(12)25-18(26-19(15)28)16-10-14(2-3-24-16)20(21,22)23/h2-3,8-10H,4-7,11H2,1H3,(H,25,26,28)
InChIKeyIOAPKWUOMMZCQQ-UHFFFAOYSA-N
MW404.39 g/mol
LogP3.14
Rot. Bonds3

About 8-methyl-6-(morpholin-4-ylmethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one

8-methyl-6-(morpholin-4-ylmethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one (PubChem CID 146308981) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 8-methyl-6-(morpholin-4-ylmethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-methyl-6-(morpholin-4-ylmethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one
PubChem CID146308981
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name8-methyl-6-(morpholin-4-ylmethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one
SMILESCc1cc(CN2CCOCC2)cc2c(=O)[nH]c(-c3cc(C(F)(F)F)ccn3)nc12
InChIInChI=1S/C20H19F3N4O2/c1-12-8-13(11-27-4-6-29-7-5-27)9-15-17(12)25-18(26-19(15)28)16-10-14(2-3-24-16)20(21,22)23/h2-3,8-10H,4-7,11H2,1H3,(H,25,26,28)
InChIKeyIOAPKWUOMMZCQQ-UHFFFAOYSA-N
XLogP3.14
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-methyl-6-(morpholin-4-ylmethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

8-methyl-6-[2-(4-methyl-3-oxopiperazin-1-yl)ethyl]-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one;hydrochloride
CID 146308958
8-methyl-6-(morpholin-4-ylmethyl)-2-pyrrolo[1,2-c]pyrimidin-3-yl-3H-quinazolin-4-one
CID 146308846
8-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
CID 146308952
8-methyl-6-(2-morpholin-4-ylethyl)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
CID 146308965
4-[3-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]propyl]morpholine
CID 170870105
5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid
CID 154924744
4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine
CID 178059830
6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one
CID 164995242
6-[(2,2-dimethylpiperidin-1-yl)methyl]-8-methyl-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one;formamide
CID 175112061
6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one
CID 174673146
8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 137109010
4-[(2-tert-butyl-4-pyridinyl)methyl]morpholine
CID 58209224

Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-(morpholin-4-ylmethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one?
The IUPAC name of 8-methyl-6-(morpholin-4-ylmethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one (CID 146308981) is 8-methyl-6-(morpholin-4-ylmethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one.
What is the SMILES notation for 8-methyl-6-(morpholin-4-ylmethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one?
The canonical SMILES for 8-methyl-6-(morpholin-4-ylmethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one is Cc1cc(CN2CCOCC2)cc2c(=O)[nH]c(-c3cc(C(F)(F)F)ccn3)nc12.
What is the InChIKey of 8-methyl-6-(morpholin-4-ylmethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one?
The InChIKey is IOAPKWUOMMZCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-12-8-13(11-27-4-6-29-7-5-27)9-15-17(12)25-18(26-19(15)28)16-10-14(2-3-24-16)20(21,22)23/h2-3,8-10H,4-7,11H2,1H3,(H,25,26,28).
What are the key properties of 8-methyl-6-(morpholin-4-ylmethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one?
8-methyl-6-(morpholin-4-ylmethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one has a molecular weight of 404.39 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-(morpholin-4-ylmethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one is sourced from PubChem (CID 146308981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).