4-(quinolin-5-ylmethyl)-1,4-oxazepane

C15H18N2O — CID 29183639

IUPAC4-(quinolin-5-ylmethyl)-1,4-oxazepane
SMILESc1cc(CN2CCCOCC2)c2cccnc2c1
InChIInChI=1S/C15H18N2O/c1-4-13(12-17-8-3-10-18-11-9-17)14-5-2-7-16-15(14)6-1/h1-2,4-7H,3,8-12H2
InChIKeyHKBYDYWZEAARAR-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.46
Rot. Bonds2

About 4-(quinolin-5-ylmethyl)-1,4-oxazepane

4-(quinolin-5-ylmethyl)-1,4-oxazepane (PubChem CID 29183639) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(quinolin-5-ylmethyl)-1,4-oxazepane.

Molecular Properties

Compound Name4-(quinolin-5-ylmethyl)-1,4-oxazepane
PubChem CID29183639
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-(quinolin-5-ylmethyl)-1,4-oxazepane
SMILESc1cc(CN2CCCOCC2)c2cccnc2c1
InChIInChI=1S/C15H18N2O/c1-4-13(12-17-8-3-10-18-11-9-17)14-5-2-7-16-15(14)6-1/h1-2,4-7H,3,8-12H2
InChIKeyHKBYDYWZEAARAR-UHFFFAOYSA-N
XLogP2.46
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,4-oxazepan-4-ylmethyl)pyridine-2-carbonitrile
CID 55209023
N-methyl-3-(1,4-oxazepan-4-ylmethyl)pyridin-2-amine
CID 62973167
4-[(2-bromo-3-pyridinyl)methyl]morpholine
CID 23438103
morpholin-4-yl-[(2S)-1-(quinolin-5-ylmethyl)pyrrolidin-2-yl]methanone
CID 77081618
1-pyrrolidin-1-yl-3-[1-(quinolin-5-ylmethyl)piperidin-4-yl]propan-1-one
CID 42521399
3-[[16-[(2-carboxy-3-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
CID 174155383
2-(3,4-dichlorophenyl)-4-(quinolin-5-ylmethyl)morpholine
CID 56868827
4-[(1R)-1-[1-(quinolin-4-ylmethyl)piperidin-4-yl]ethyl]morpholine
CID 95144633
(3R)-3-[(dimethylamino)methyl]-1-(quinolin-5-ylmethyl)piperidin-3-ol
CID 95897724
[2-(morpholin-4-ylmethyl)phenyl]-[4-(quinolin-4-ylmethyl)azepan-1-yl]methanone
CID 110149354
4-[(4-fluoronaphthalen-1-yl)methyl]morpholine;hydrochloride
CID 165434083
3-morpholin-4-yl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 63850211

Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-5-ylmethyl)-1,4-oxazepane?
The IUPAC name of 4-(quinolin-5-ylmethyl)-1,4-oxazepane (CID 29183639) is 4-(quinolin-5-ylmethyl)-1,4-oxazepane.
What is the SMILES notation for 4-(quinolin-5-ylmethyl)-1,4-oxazepane?
The canonical SMILES for 4-(quinolin-5-ylmethyl)-1,4-oxazepane is c1cc(CN2CCCOCC2)c2cccnc2c1.
What is the InChIKey of 4-(quinolin-5-ylmethyl)-1,4-oxazepane?
The InChIKey is HKBYDYWZEAARAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-4-13(12-17-8-3-10-18-11-9-17)14-5-2-7-16-15(14)6-1/h1-2,4-7H,3,8-12H2.
What are the key properties of 4-(quinolin-5-ylmethyl)-1,4-oxazepane?
4-(quinolin-5-ylmethyl)-1,4-oxazepane has a molecular weight of 242.32 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-5-ylmethyl)-1,4-oxazepane is sourced from PubChem (CID 29183639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).