3-[[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one

C22H24FN5O — CID 146079047

IUPAC3-[[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one
SMILESCc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2cc(C3CC3)ncn2)CC1
InChIInChI=1S/C22H24FN5O/c1-14-26-20-10-17(23)4-5-18(20)22(29)28(14)12-15-6-8-27(9-7-15)21-11-19(16-2-3-16)24-13-25-21/h4-5,10-11,13,15-16H,2-3,6-9,12H2,1H3
InChIKeySEZIWAKWWSSITG-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.43
Rot. Bonds4

About 3-[[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one

3-[[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one (PubChem CID 146079047) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is 3-[[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one
PubChem CID146079047
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name3-[[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one
SMILESCc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2cc(C3CC3)ncn2)CC1
InChIInChI=1S/C22H24FN5O/c1-14-26-20-10-17(23)4-5-18(20)22(29)28(14)12-15-6-8-27(9-7-15)21-11-19(16-2-3-16)24-13-25-21/h4-5,10-11,13,15-16H,2-3,6-9,12H2,1H3
InChIKeySEZIWAKWWSSITG-UHFFFAOYSA-N
XLogP3.43
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one with MolForge

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Related Compounds

3-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one
CID 163344964
3-[(1-cyclopentylpiperidin-4-yl)methyl]-7-fluoro-2-methylquinazolin-4-one
CID 146078319
3-[[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one
CID 163345012
3-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one
CID 146079219
7-fluoro-3-[[1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154581294
4-cyclopropyl-6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrimidine
CID 70712024
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methylpyrimidine
CID 139022902
6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126863975
3-[6-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91792058
4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-6-(oxolan-3-yl)pyrimidine
CID 119070926
6-methyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126863989

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one?
The IUPAC name of 3-[[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one (CID 146079047) is 3-[[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one?
The canonical SMILES for 3-[[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one is Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2cc(C3CC3)ncn2)CC1.
What is the InChIKey of 3-[[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one?
The InChIKey is SEZIWAKWWSSITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-14-26-20-10-17(23)4-5-18(20)22(29)28(14)12-15-6-8-27(9-7-15)21-11-19(16-2-3-16)24-13-25-21/h4-5,10-11,13,15-16H,2-3,6-9,12H2,1H3.
What are the key properties of 3-[[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one?
3-[[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one has a molecular weight of 393.47 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one is sourced from PubChem (CID 146079047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).