4-(azepan-1-yl)-6-methoxyquinazoline

C15H19N3O — CID 21002922

IUPAC4-(azepan-1-yl)-6-methoxyquinazoline
SMILESCOc1ccc2ncnc(N3CCCCCC3)c2c1
InChIInChI=1S/C15H19N3O/c1-19-12-6-7-14-13(10-12)15(17-11-16-14)18-8-4-2-3-5-9-18/h6-7,10-11H,2-5,8-9H2,1H3
InChIKeyPFRQPIVIYLNHBS-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.02
Rot. Bonds2

About 4-(azepan-1-yl)-6-methoxyquinazoline

4-(azepan-1-yl)-6-methoxyquinazoline (PubChem CID 21002922) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-(azepan-1-yl)-6-methoxyquinazoline.

Molecular Properties

Compound Name4-(azepan-1-yl)-6-methoxyquinazoline
PubChem CID21002922
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-(azepan-1-yl)-6-methoxyquinazoline
SMILESCOc1ccc2ncnc(N3CCCCCC3)c2c1
InChIInChI=1S/C15H19N3O/c1-19-12-6-7-14-13(10-12)15(17-11-16-14)18-8-4-2-3-5-9-18/h6-7,10-11H,2-5,8-9H2,1H3
InChIKeyPFRQPIVIYLNHBS-UHFFFAOYSA-N
XLogP3.02
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-yl)-7-methoxyquinazoline
CID 110433303
1-(6-methoxyquinazolin-4-yl)piperidine-3-carboxylic acid
CID 21002829
1-(6-methoxyquinazolin-4-yl)piperidine-4-carboxamide
CID 21002803
6-bromo-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinazoline
CID 87020711
7-methoxy-3-(6-methylsulfanylquinazolin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 167803937
4-(azepan-1-yl)quinazoline
CID 5207391
7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline
CID 133475447
6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline
CID 69016475
7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline
CID 110433305
5-(4-methoxy-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 118448880
piperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
CID 71842473
2,4-dichloro-6-methoxy-3-piperidin-1-ylquinoline
CID 110272527

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-6-methoxyquinazoline?
The IUPAC name of 4-(azepan-1-yl)-6-methoxyquinazoline (CID 21002922) is 4-(azepan-1-yl)-6-methoxyquinazoline.
What is the SMILES notation for 4-(azepan-1-yl)-6-methoxyquinazoline?
The canonical SMILES for 4-(azepan-1-yl)-6-methoxyquinazoline is COc1ccc2ncnc(N3CCCCCC3)c2c1.
What is the InChIKey of 4-(azepan-1-yl)-6-methoxyquinazoline?
The InChIKey is PFRQPIVIYLNHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-12-6-7-14-13(10-12)15(17-11-16-14)18-8-4-2-3-5-9-18/h6-7,10-11H,2-5,8-9H2,1H3.
What are the key properties of 4-(azepan-1-yl)-6-methoxyquinazoline?
4-(azepan-1-yl)-6-methoxyquinazoline has a molecular weight of 257.34 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-6-methoxyquinazoline is sourced from PubChem (CID 21002922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).