4-(azepan-1-yl)-6,7,8-trimethoxyquinazoline

C17H23N3O3 — CID 110433392

IUPAC4-(azepan-1-yl)-6,7,8-trimethoxyquinazoline
SMILESCOc1cc2c(N3CCCCCC3)ncnc2c(OC)c1OC
InChIInChI=1S/C17H23N3O3/c1-21-13-10-12-14(16(23-3)15(13)22-2)18-11-19-17(12)20-8-6-4-5-7-9-20/h10-11H,4-9H2,1-3H3
InChIKeyPJLBFEGMVHKILI-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.04
Rot. Bonds4

About 4-(azepan-1-yl)-6,7,8-trimethoxyquinazoline

4-(azepan-1-yl)-6,7,8-trimethoxyquinazoline (PubChem CID 110433392) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-(azepan-1-yl)-6,7,8-trimethoxyquinazoline.

Molecular Properties

Compound Name4-(azepan-1-yl)-6,7,8-trimethoxyquinazoline
PubChem CID110433392
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name4-(azepan-1-yl)-6,7,8-trimethoxyquinazoline
SMILESCOc1cc2c(N3CCCCCC3)ncnc2c(OC)c1OC
InChIInChI=1S/C17H23N3O3/c1-21-13-10-12-14(16(23-3)15(13)22-2)18-11-19-17(12)20-8-6-4-5-7-9-20/h10-11H,4-9H2,1-3H3
InChIKeyPJLBFEGMVHKILI-UHFFFAOYSA-N
XLogP3.04
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6,7,8-trimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)quinazoline;dihydrochloride
CID 19605811
4-ethyl-1-(6,7,8-trimethoxyquinazolin-4-yl)piperidin-4-ol
CID 86202989
4-(3,5-dimethylpiperidin-1-yl)-6,7,8-trimethoxyquinazoline
CID 110433380
7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline
CID 133475447
7,8-dimethoxy-4-pyrrolidin-1-yl-5H-pyrimido[5,4-b]indole
CID 942038
6,7,8-trimethoxy-4-methylquinazoline
CID 70672853
N-(4-nitrophenyl)-4-(6,7,8-trimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707512
4-(benzimidazol-1-yl)-6,7,8-trimethoxyquinazoline
CID 110435786
4-(azepan-1-yl)-7-methoxyquinazoline
CID 110433303
4-(azepan-1-yl)-6-methoxyquinazoline
CID 21002922
6,7,8-trimethoxy-N,N-dimethylquinazolin-4-amine
CID 110433384
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-6,7,8-trimethoxyquinazoline?
The IUPAC name of 4-(azepan-1-yl)-6,7,8-trimethoxyquinazoline (CID 110433392) is 4-(azepan-1-yl)-6,7,8-trimethoxyquinazoline.
What is the SMILES notation for 4-(azepan-1-yl)-6,7,8-trimethoxyquinazoline?
The canonical SMILES for 4-(azepan-1-yl)-6,7,8-trimethoxyquinazoline is COc1cc2c(N3CCCCCC3)ncnc2c(OC)c1OC.
What is the InChIKey of 4-(azepan-1-yl)-6,7,8-trimethoxyquinazoline?
The InChIKey is PJLBFEGMVHKILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-21-13-10-12-14(16(23-3)15(13)22-2)18-11-19-17(12)20-8-6-4-5-7-9-20/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-(azepan-1-yl)-6,7,8-trimethoxyquinazoline?
4-(azepan-1-yl)-6,7,8-trimethoxyquinazoline has a molecular weight of 317.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-6,7,8-trimethoxyquinazoline is sourced from PubChem (CID 110433392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).