2-(2-methylquinazolin-4-yl)-1,4-oxazepane

C14H17N3O — CID 82664516

IUPAC2-(2-methylquinazolin-4-yl)-1,4-oxazepane
SMILESCc1nc(C2CNCCCO2)c2ccccc2n1
InChIInChI=1S/C14H17N3O/c1-10-16-12-6-3-2-5-11(12)14(17-10)13-9-15-7-4-8-18-13/h2-3,5-6,13,15H,4,7-9H2,1H3
InChIKeyHPPFGNASNVVSHN-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.99
Rot. Bonds1

About 2-(2-methylquinazolin-4-yl)-1,4-oxazepane

2-(2-methylquinazolin-4-yl)-1,4-oxazepane (PubChem CID 82664516) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(2-methylquinazolin-4-yl)-1,4-oxazepane.

Molecular Properties

Compound Name2-(2-methylquinazolin-4-yl)-1,4-oxazepane
PubChem CID82664516
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(2-methylquinazolin-4-yl)-1,4-oxazepane
SMILESCc1nc(C2CNCCCO2)c2ccccc2n1
InChIInChI=1S/C14H17N3O/c1-10-16-12-6-3-2-5-11(12)14(17-10)13-9-15-7-4-8-18-13/h2-3,5-6,13,15H,4,7-9H2,1H3
InChIKeyHPPFGNASNVVSHN-UHFFFAOYSA-N
XLogP1.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylquinazolin-4-yl)-1,4-oxazepane?
The IUPAC name of 2-(2-methylquinazolin-4-yl)-1,4-oxazepane (CID 82664516) is 2-(2-methylquinazolin-4-yl)-1,4-oxazepane.
What is the SMILES notation for 2-(2-methylquinazolin-4-yl)-1,4-oxazepane?
The canonical SMILES for 2-(2-methylquinazolin-4-yl)-1,4-oxazepane is Cc1nc(C2CNCCCO2)c2ccccc2n1.
What is the InChIKey of 2-(2-methylquinazolin-4-yl)-1,4-oxazepane?
The InChIKey is HPPFGNASNVVSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-16-12-6-3-2-5-11(12)14(17-10)13-9-15-7-4-8-18-13/h2-3,5-6,13,15H,4,7-9H2,1H3.
What are the key properties of 2-(2-methylquinazolin-4-yl)-1,4-oxazepane?
2-(2-methylquinazolin-4-yl)-1,4-oxazepane has a molecular weight of 243.31 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylquinazolin-4-yl)-1,4-oxazepane is sourced from PubChem (CID 82664516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).