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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Related Compounds

2-(2-methylphenyl)-1,4-oxazepane
CID 43498424
2-[(2S)-morpholin-2-yl]-3H-quinazolin-4-one
CID 178029081
ethanesulfonic acid;1-morpholin-2-ylisoquinolin-3-amine
CID 86738336
2-(2-methylpyrazol-3-yl)-1,4-oxazepane
CID 130791824
11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinoline
CID 3044001
2-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine
CID 21283341
2-(7-chloro-1-methylindol-3-yl)-1,4-oxazepane
CID 82667090
9-piperidin-3-yl-1,2,3,4-tetrahydroacridine
CID 165348457
azane;2-phenylmorpholine
CID 174664757
2-cinnolin-3-ylmorpholine
CID 116988006
(2S)-2-(1-methylpyrazol-4-yl)-1,4-oxazepane
CID 96749778
2-(2-methylpyrimidin-4-yl)morpholine
CID 66509815

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).