4-(azepan-4-yl)-7-methoxyquinazoline

C15H19N3O — CID 162748452

IUPAC4-(azepan-4-yl)-7-methoxyquinazoline
SMILESCOc1ccc2c(C3CCCNCC3)ncnc2c1
InChIInChI=1S/C15H19N3O/c1-19-12-4-5-13-14(9-12)17-10-18-15(13)11-3-2-7-16-8-6-11/h4-5,9-11,16H,2-3,6-8H2,1H3
InChIKeyYMNXKGARPYZZEQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.50
Rot. Bonds2

About 4-(azepan-4-yl)-7-methoxyquinazoline

4-(azepan-4-yl)-7-methoxyquinazoline (PubChem CID 162748452) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-(azepan-4-yl)-7-methoxyquinazoline.

Molecular Properties

Compound Name4-(azepan-4-yl)-7-methoxyquinazoline
PubChem CID162748452
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-(azepan-4-yl)-7-methoxyquinazoline
SMILESCOc1ccc2c(C3CCCNCC3)ncnc2c1
InChIInChI=1S/C15H19N3O/c1-19-12-4-5-13-14(9-12)17-10-18-15(13)11-3-2-7-16-8-6-11/h4-5,9-11,16H,2-3,6-8H2,1H3
InChIKeyYMNXKGARPYZZEQ-UHFFFAOYSA-N
XLogP2.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-(4-piperidin-4-ylquinazolin-7-yl)oxyethanamine
CID 59551670
7-[(1-methylpyrrolidin-2-yl)methoxy]-4-piperidin-4-ylquinazoline
CID 68695903
7-(oxolan-3-yloxy)-4-piperidin-4-ylquinazoline
CID 68693804
7-[3-(4-methylsulfanylpiperazin-1-yl)propoxy]-4-piperidin-4-ylquinazoline
CID 143371236
7-(4-methylpiperazin-1-yl)-4-piperidin-4-ylquinazoline
CID 59551688
4-(4-methoxy-2-methylphenyl)azepane
CID 83261173
(4S)-4-(4-methoxyphenyl)azepane
CID 95439149
6-methoxy-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
CID 52983604
4-cyclohexyl-6,7-dimethoxyquinazoline
CID 67650996
(4-propan-2-ylphenyl) 4-(7-methoxyquinazolin-4-yl)piperidine-1-carboxylate
CID 90731692
7-methoxy-4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)quinazoline
CID 162748489
N-[3-(4-methylpiperazin-1-yl)propyl]-4-piperidin-4-ylquinazolin-7-amine
CID 59551735

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-4-yl)-7-methoxyquinazoline?
The IUPAC name of 4-(azepan-4-yl)-7-methoxyquinazoline (CID 162748452) is 4-(azepan-4-yl)-7-methoxyquinazoline.
What is the SMILES notation for 4-(azepan-4-yl)-7-methoxyquinazoline?
The canonical SMILES for 4-(azepan-4-yl)-7-methoxyquinazoline is COc1ccc2c(C3CCCNCC3)ncnc2c1.
What is the InChIKey of 4-(azepan-4-yl)-7-methoxyquinazoline?
The InChIKey is YMNXKGARPYZZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-12-4-5-13-14(9-12)17-10-18-15(13)11-3-2-7-16-8-6-11/h4-5,9-11,16H,2-3,6-8H2,1H3.
What are the key properties of 4-(azepan-4-yl)-7-methoxyquinazoline?
4-(azepan-4-yl)-7-methoxyquinazoline has a molecular weight of 257.34 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-4-yl)-7-methoxyquinazoline is sourced from PubChem (CID 162748452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).