4-(4-methoxy-2-methylquinolin-6-yl)-1,4-oxazepane

C16H20N2O2 — CID 166834682

IUPAC4-(4-methoxy-2-methylquinolin-6-yl)-1,4-oxazepane
SMILESCOc1cc(C)nc2ccc(N3CCCOCC3)cc12
InChIInChI=1S/C16H20N2O2/c1-12-10-16(19-2)14-11-13(4-5-15(14)17-12)18-6-3-8-20-9-7-18/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyUOOBGZMLYVNTHW-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.78
Rot. Bonds2

About 4-(4-methoxy-2-methylquinolin-6-yl)-1,4-oxazepane

4-(4-methoxy-2-methylquinolin-6-yl)-1,4-oxazepane (PubChem CID 166834682) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(4-methoxy-2-methylquinolin-6-yl)-1,4-oxazepane.

Molecular Properties

Compound Name4-(4-methoxy-2-methylquinolin-6-yl)-1,4-oxazepane
PubChem CID166834682
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-(4-methoxy-2-methylquinolin-6-yl)-1,4-oxazepane
SMILESCOc1cc(C)nc2ccc(N3CCCOCC3)cc12
InChIInChI=1S/C16H20N2O2/c1-12-10-16(19-2)14-11-13(4-5-15(14)17-12)18-6-3-8-20-9-7-18/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyUOOBGZMLYVNTHW-UHFFFAOYSA-N
XLogP2.78
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 102942059
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4-[3-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazol-5-yl]morpholine;ethane
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N-(2-methoxy-4-morpholin-4-ylphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 58865823
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CID 126743116
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
3-methoxy-5-(1,4-oxazepan-4-yl)aniline
CID 80735841
4-[4-(1,1-dimethoxyethyl)-3-methoxyphenyl]morpholine
CID 174708451
3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic acid
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CID 170001559
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CID 169417677

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-methylquinolin-6-yl)-1,4-oxazepane?
The IUPAC name of 4-(4-methoxy-2-methylquinolin-6-yl)-1,4-oxazepane (CID 166834682) is 4-(4-methoxy-2-methylquinolin-6-yl)-1,4-oxazepane.
What is the SMILES notation for 4-(4-methoxy-2-methylquinolin-6-yl)-1,4-oxazepane?
The canonical SMILES for 4-(4-methoxy-2-methylquinolin-6-yl)-1,4-oxazepane is COc1cc(C)nc2ccc(N3CCCOCC3)cc12.
What is the InChIKey of 4-(4-methoxy-2-methylquinolin-6-yl)-1,4-oxazepane?
The InChIKey is UOOBGZMLYVNTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-10-16(19-2)14-11-13(4-5-15(14)17-12)18-6-3-8-20-9-7-18/h4-5,10-11H,3,6-9H2,1-2H3.
What are the key properties of 4-(4-methoxy-2-methylquinolin-6-yl)-1,4-oxazepane?
4-(4-methoxy-2-methylquinolin-6-yl)-1,4-oxazepane has a molecular weight of 272.35 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-methylquinolin-6-yl)-1,4-oxazepane is sourced from PubChem (CID 166834682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).