8-(dimethylamino)-3-(2-hydroxycyclohexyl)-6-[(4-hydroxyphenyl)methyl]-7-methylquinazolin-4-one

C24H29N3O3 — CID 123852886

IUPAC8-(dimethylamino)-3-(2-hydroxycyclohexyl)-6-[(4-hydroxyphenyl)methyl]-7-methylquinazolin-4-one
SMILESCc1c(Cc2ccc(O)cc2)cc2c(=O)n(C3CCCCC3O)cnc2c1N(C)C
InChIInChI=1S/C24H29N3O3/c1-15-17(12-16-8-10-18(28)11-9-16)13-19-22(23(15)26(2)3)25-14-27(24(19)30)20-6-4-5-7-21(20)29/h8-11,13-14,20-21,28-29H,4-7,12H2,1-3H3
InChIKeyRVCKXEVJAJIGGK-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.54
Rot. Bonds4

About 8-(dimethylamino)-3-(2-hydroxycyclohexyl)-6-[(4-hydroxyphenyl)methyl]-7-methylquinazolin-4-one

8-(dimethylamino)-3-(2-hydroxycyclohexyl)-6-[(4-hydroxyphenyl)methyl]-7-methylquinazolin-4-one (PubChem CID 123852886) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 8-(dimethylamino)-3-(2-hydroxycyclohexyl)-6-[(4-hydroxyphenyl)methyl]-7-methylquinazolin-4-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-(2-hydroxycyclohexyl)-6-[(4-hydroxyphenyl)methyl]-7-methylquinazolin-4-one
PubChem CID123852886
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name8-(dimethylamino)-3-(2-hydroxycyclohexyl)-6-[(4-hydroxyphenyl)methyl]-7-methylquinazolin-4-one
SMILESCc1c(Cc2ccc(O)cc2)cc2c(=O)n(C3CCCCC3O)cnc2c1N(C)C
InChIInChI=1S/C24H29N3O3/c1-15-17(12-16-8-10-18(28)11-9-16)13-19-22(23(15)26(2)3)25-14-27(24(19)30)20-6-4-5-7-21(20)29/h8-11,13-14,20-21,28-29H,4-7,12H2,1-3H3
InChIKeyRVCKXEVJAJIGGK-UHFFFAOYSA-N
XLogP3.54
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-(2-hydroxycyclohexyl)-6-[(4-hydroxyphenyl)methyl]-7-methylquinazolin-4-one?
The IUPAC name of 8-(dimethylamino)-3-(2-hydroxycyclohexyl)-6-[(4-hydroxyphenyl)methyl]-7-methylquinazolin-4-one (CID 123852886) is 8-(dimethylamino)-3-(2-hydroxycyclohexyl)-6-[(4-hydroxyphenyl)methyl]-7-methylquinazolin-4-one.
What is the SMILES notation for 8-(dimethylamino)-3-(2-hydroxycyclohexyl)-6-[(4-hydroxyphenyl)methyl]-7-methylquinazolin-4-one?
The canonical SMILES for 8-(dimethylamino)-3-(2-hydroxycyclohexyl)-6-[(4-hydroxyphenyl)methyl]-7-methylquinazolin-4-one is Cc1c(Cc2ccc(O)cc2)cc2c(=O)n(C3CCCCC3O)cnc2c1N(C)C.
What is the InChIKey of 8-(dimethylamino)-3-(2-hydroxycyclohexyl)-6-[(4-hydroxyphenyl)methyl]-7-methylquinazolin-4-one?
The InChIKey is RVCKXEVJAJIGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-15-17(12-16-8-10-18(28)11-9-16)13-19-22(23(15)26(2)3)25-14-27(24(19)30)20-6-4-5-7-21(20)29/h8-11,13-14,20-21,28-29H,4-7,12H2,1-3H3.
What are the key properties of 8-(dimethylamino)-3-(2-hydroxycyclohexyl)-6-[(4-hydroxyphenyl)methyl]-7-methylquinazolin-4-one?
8-(dimethylamino)-3-(2-hydroxycyclohexyl)-6-[(4-hydroxyphenyl)methyl]-7-methylquinazolin-4-one has a molecular weight of 407.51 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-(2-hydroxycyclohexyl)-6-[(4-hydroxyphenyl)methyl]-7-methylquinazolin-4-one is sourced from PubChem (CID 123852886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).