3-(3-aminopropyl)-2-cyclohexyl-6-methoxyquinazolin-4-one

C18H25N3O2 — CID 22484801

IUPAC3-(3-aminopropyl)-2-cyclohexyl-6-methoxyquinazolin-4-one
SMILESCOc1ccc2nc(C3CCCCC3)n(CCCN)c(=O)c2c1
InChIInChI=1S/C18H25N3O2/c1-23-14-8-9-16-15(12-14)18(22)21(11-5-10-19)17(20-16)13-6-3-2-4-7-13/h8-9,12-13H,2-7,10-11,19H2,1H3
InChIKeyYWXFMCCRXOKLJZ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.80
Rot. Bonds5

About 3-(3-aminopropyl)-2-cyclohexyl-6-methoxyquinazolin-4-one

3-(3-aminopropyl)-2-cyclohexyl-6-methoxyquinazolin-4-one (PubChem CID 22484801) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-(3-aminopropyl)-2-cyclohexyl-6-methoxyquinazolin-4-one.

Molecular Properties

Compound Name3-(3-aminopropyl)-2-cyclohexyl-6-methoxyquinazolin-4-one
PubChem CID22484801
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-(3-aminopropyl)-2-cyclohexyl-6-methoxyquinazolin-4-one
SMILESCOc1ccc2nc(C3CCCCC3)n(CCCN)c(=O)c2c1
InChIInChI=1S/C18H25N3O2/c1-23-14-8-9-16-15(12-14)18(22)21(11-5-10-19)17(20-16)13-6-3-2-4-7-13/h8-9,12-13H,2-7,10-11,19H2,1H3
InChIKeyYWXFMCCRXOKLJZ-UHFFFAOYSA-N
XLogP2.80
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-2-cyclohexyl-6-methoxyquinazolin-4-one?
The IUPAC name of 3-(3-aminopropyl)-2-cyclohexyl-6-methoxyquinazolin-4-one (CID 22484801) is 3-(3-aminopropyl)-2-cyclohexyl-6-methoxyquinazolin-4-one.
What is the SMILES notation for 3-(3-aminopropyl)-2-cyclohexyl-6-methoxyquinazolin-4-one?
The canonical SMILES for 3-(3-aminopropyl)-2-cyclohexyl-6-methoxyquinazolin-4-one is COc1ccc2nc(C3CCCCC3)n(CCCN)c(=O)c2c1.
What is the InChIKey of 3-(3-aminopropyl)-2-cyclohexyl-6-methoxyquinazolin-4-one?
The InChIKey is YWXFMCCRXOKLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-23-14-8-9-16-15(12-14)18(22)21(11-5-10-19)17(20-16)13-6-3-2-4-7-13/h8-9,12-13H,2-7,10-11,19H2,1H3.
What are the key properties of 3-(3-aminopropyl)-2-cyclohexyl-6-methoxyquinazolin-4-one?
3-(3-aminopropyl)-2-cyclohexyl-6-methoxyquinazolin-4-one has a molecular weight of 315.42 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-2-cyclohexyl-6-methoxyquinazolin-4-one is sourced from PubChem (CID 22484801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).