3-[(2,6-difluorophenyl)-phenylmethyl]-6-(dimethylamino)-2-methylquinazolin-4-one

C24H21F2N3O — CID 58187140

IUPAC3-[(2,6-difluorophenyl)-phenylmethyl]-6-(dimethylamino)-2-methylquinazolin-4-one
SMILESCc1nc2ccc(N(C)C)cc2c(=O)n1C(c1ccccc1)c1c(F)cccc1F
InChIInChI=1S/C24H21F2N3O/c1-15-27-21-13-12-17(28(2)3)14-18(21)24(30)29(15)23(16-8-5-4-6-9-16)22-19(25)10-7-11-20(22)26/h4-14,23H,1-3H3
InChIKeyLHNYHODNRLHNFE-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.69
Rot. Bonds4

About 3-[(2,6-difluorophenyl)-phenylmethyl]-6-(dimethylamino)-2-methylquinazolin-4-one

3-[(2,6-difluorophenyl)-phenylmethyl]-6-(dimethylamino)-2-methylquinazolin-4-one (PubChem CID 58187140) has the molecular formula C24H21F2N3O and a molecular weight of 405.45 g/mol. Its IUPAC name is 3-[(2,6-difluorophenyl)-phenylmethyl]-6-(dimethylamino)-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(2,6-difluorophenyl)-phenylmethyl]-6-(dimethylamino)-2-methylquinazolin-4-one
PubChem CID58187140
Molecular FormulaC24H21F2N3O
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name3-[(2,6-difluorophenyl)-phenylmethyl]-6-(dimethylamino)-2-methylquinazolin-4-one
SMILESCc1nc2ccc(N(C)C)cc2c(=O)n1C(c1ccccc1)c1c(F)cccc1F
InChIInChI=1S/C24H21F2N3O/c1-15-27-21-13-12-17(28(2)3)14-18(21)24(30)29(15)23(16-8-5-4-6-9-16)22-19(25)10-7-11-20(22)26/h4-14,23H,1-3H3
InChIKeyLHNYHODNRLHNFE-UHFFFAOYSA-N
XLogP4.69
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluorophenyl)-phenylmethyl]-6-(dimethylamino)-2-methylquinazolin-4-one?
The IUPAC name of 3-[(2,6-difluorophenyl)-phenylmethyl]-6-(dimethylamino)-2-methylquinazolin-4-one (CID 58187140) is 3-[(2,6-difluorophenyl)-phenylmethyl]-6-(dimethylamino)-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[(2,6-difluorophenyl)-phenylmethyl]-6-(dimethylamino)-2-methylquinazolin-4-one?
The canonical SMILES for 3-[(2,6-difluorophenyl)-phenylmethyl]-6-(dimethylamino)-2-methylquinazolin-4-one is Cc1nc2ccc(N(C)C)cc2c(=O)n1C(c1ccccc1)c1c(F)cccc1F.
What is the InChIKey of 3-[(2,6-difluorophenyl)-phenylmethyl]-6-(dimethylamino)-2-methylquinazolin-4-one?
The InChIKey is LHNYHODNRLHNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O/c1-15-27-21-13-12-17(28(2)3)14-18(21)24(30)29(15)23(16-8-5-4-6-9-16)22-19(25)10-7-11-20(22)26/h4-14,23H,1-3H3.
What are the key properties of 3-[(2,6-difluorophenyl)-phenylmethyl]-6-(dimethylamino)-2-methylquinazolin-4-one?
3-[(2,6-difluorophenyl)-phenylmethyl]-6-(dimethylamino)-2-methylquinazolin-4-one has a molecular weight of 405.45 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-difluorophenyl)-phenylmethyl]-6-(dimethylamino)-2-methylquinazolin-4-one is sourced from PubChem (CID 58187140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).