[1-(7-aminoquinazolin-4-yl)azepan-2-yl]methanol

C15H20N4O — CID 116633977

IUPAC[1-(7-aminoquinazolin-4-yl)azepan-2-yl]methanol
SMILESNc1ccc2c(N3CCCCCC3CO)ncnc2c1
InChIInChI=1S/C15H20N4O/c16-11-5-6-13-14(8-11)17-10-18-15(13)19-7-3-1-2-4-12(19)9-20/h5-6,8,10,12,20H,1-4,7,9,16H2
InChIKeyATOUEQXRYMOQGB-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.95
Rot. Bonds2

About [1-(7-aminoquinazolin-4-yl)azepan-2-yl]methanol

[1-(7-aminoquinazolin-4-yl)azepan-2-yl]methanol (PubChem CID 116633977) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is [1-(7-aminoquinazolin-4-yl)azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(7-aminoquinazolin-4-yl)azepan-2-yl]methanol
PubChem CID116633977
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name[1-(7-aminoquinazolin-4-yl)azepan-2-yl]methanol
SMILESNc1ccc2c(N3CCCCCC3CO)ncnc2c1
InChIInChI=1S/C15H20N4O/c16-11-5-6-13-14(8-11)17-10-18-15(13)19-7-3-1-2-4-12(19)9-20/h5-6,8,10,12,20H,1-4,7,9,16H2
InChIKeyATOUEQXRYMOQGB-UHFFFAOYSA-N
XLogP1.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(6-aminoquinazolin-4-yl)azepan-2-yl]methanol
CID 116633942
4-(azepan-1-yl)quinazolin-7-amine
CID 65336850
4-(azocan-1-yl)quinazolin-7-amine
CID 65337382
4-(2-methylazepan-1-yl)quinazolin-6-amine
CID 64589320
[1-(3,5-diamino-2-pyridinyl)piperidin-2-yl]methanol
CID 23064302
[(2S)-1-(7-amino-2-methylquinolin-4-yl)pyrrolidin-2-yl]methanol
CID 69305279
[1-(5-amino-6-propan-2-yloxypyrimidin-4-yl)azepan-2-yl]methanol
CID 116634054
[1-(6-amino-5-nitropyrimidin-4-yl)azepan-2-yl]methanol
CID 116640711
1-[1-(7-aminoquinazolin-4-yl)piperidin-4-yl]ethanol
CID 106835289
[1-(3-amino-2-pyridinyl)piperidin-2-yl]methanol
CID 61406906
[1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 103865791
1-[4-[2-(hydroxymethyl)piperidin-1-yl]-9H-pyrimido[4,5-b]indol-6-yl]ethanone
CID 118983030

Frequently Asked Questions

What is the IUPAC name of [1-(7-aminoquinazolin-4-yl)azepan-2-yl]methanol?
The IUPAC name of [1-(7-aminoquinazolin-4-yl)azepan-2-yl]methanol (CID 116633977) is [1-(7-aminoquinazolin-4-yl)azepan-2-yl]methanol.
What is the SMILES notation for [1-(7-aminoquinazolin-4-yl)azepan-2-yl]methanol?
The canonical SMILES for [1-(7-aminoquinazolin-4-yl)azepan-2-yl]methanol is Nc1ccc2c(N3CCCCCC3CO)ncnc2c1.
What is the InChIKey of [1-(7-aminoquinazolin-4-yl)azepan-2-yl]methanol?
The InChIKey is ATOUEQXRYMOQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-11-5-6-13-14(8-11)17-10-18-15(13)19-7-3-1-2-4-12(19)9-20/h5-6,8,10,12,20H,1-4,7,9,16H2.
What are the key properties of [1-(7-aminoquinazolin-4-yl)azepan-2-yl]methanol?
[1-(7-aminoquinazolin-4-yl)azepan-2-yl]methanol has a molecular weight of 272.35 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-aminoquinazolin-4-yl)azepan-2-yl]methanol is sourced from PubChem (CID 116633977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).