6-(methoxymethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-quinazolin-4-one

C24H29N3O3 — CID 172703323

IUPAC6-(methoxymethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-quinazolin-4-one
SMILESCOCc1ccc2nc(-c3ccc(OCCCN4CCCCC4)cc3)[nH]c(=O)c2c1
InChIInChI=1S/C24H29N3O3/c1-29-17-18-6-11-22-21(16-18)24(28)26-23(25-22)19-7-9-20(10-8-19)30-15-5-14-27-12-3-2-4-13-27/h6-11,16H,2-5,12-15,17H2,1H3,(H,25,26,28)
InChIKeyDGFLYEFGWLSLMI-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.99
Rot. Bonds8

About 6-(methoxymethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-quinazolin-4-one

6-(methoxymethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-quinazolin-4-one (PubChem CID 172703323) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(methoxymethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-quinazolin-4-one
PubChem CID172703323
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name6-(methoxymethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-quinazolin-4-one
SMILESCOCc1ccc2nc(-c3ccc(OCCCN4CCCCC4)cc3)[nH]c(=O)c2c1
InChIInChI=1S/C24H29N3O3/c1-29-17-18-6-11-22-21(16-18)24(28)26-23(25-22)19-7-9-20(10-8-19)30-15-5-14-27-12-3-2-4-13-27/h6-11,16H,2-5,12-15,17H2,1H3,(H,25,26,28)
InChIKeyDGFLYEFGWLSLMI-UHFFFAOYSA-N
XLogP3.99
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(methoxymethyl)-2-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-3H-quinazolin-4-one
CID 172780847
2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide
CID 11538128
2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one
CID 168551806
2-[4-(2-hydroxyethoxy)phenyl]-6-methyl-3H-quinazolin-4-one
CID 136703862
2-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one
CID 168552184
5-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one
CID 59651971
2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one
CID 168552193
6-chloro-2-[4-(2-hydroxyethoxy)phenyl]-3H-quinazolin-4-one
CID 136703861
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-6-pyridin-4-ylquinazolin-4-one
CID 11669670
2,6-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11509385

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 6-(methoxymethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-quinazolin-4-one (CID 172703323) is 6-(methoxymethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-(methoxymethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 6-(methoxymethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-quinazolin-4-one is COCc1ccc2nc(-c3ccc(OCCCN4CCCCC4)cc3)[nH]c(=O)c2c1.
What is the InChIKey of 6-(methoxymethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-quinazolin-4-one?
The InChIKey is DGFLYEFGWLSLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-29-17-18-6-11-22-21(16-18)24(28)26-23(25-22)19-7-9-20(10-8-19)30-15-5-14-27-12-3-2-4-13-27/h6-11,16H,2-5,12-15,17H2,1H3,(H,25,26,28).
What are the key properties of 6-(methoxymethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-quinazolin-4-one?
6-(methoxymethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-quinazolin-4-one has a molecular weight of 407.51 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 172703323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).