N-[4-(chloromethyl)oxan-4-yl]quinoline-8-carboxamide

C16H17ClN2O2 — CID 106300490

IUPACN-[4-(chloromethyl)oxan-4-yl]quinoline-8-carboxamide
SMILESO=C(NC1(CCl)CCOCC1)c1cccc2cccnc12
InChIInChI=1S/C16H17ClN2O2/c17-11-16(6-9-21-10-7-16)19-15(20)13-5-1-3-12-4-2-8-18-14(12)13/h1-5,8H,6-7,9-11H2,(H,19,20)
InChIKeyLKDNTHYHOWDFBW-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.75
Rot. Bonds3

About N-[4-(chloromethyl)oxan-4-yl]quinoline-8-carboxamide

N-[4-(chloromethyl)oxan-4-yl]quinoline-8-carboxamide (PubChem CID 106300490) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[4-(chloromethyl)oxan-4-yl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)oxan-4-yl]quinoline-8-carboxamide
PubChem CID106300490
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-[4-(chloromethyl)oxan-4-yl]quinoline-8-carboxamide
SMILESO=C(NC1(CCl)CCOCC1)c1cccc2cccnc12
InChIInChI=1S/C16H17ClN2O2/c17-11-16(6-9-21-10-7-16)19-15(20)13-5-1-3-12-4-2-8-18-14(12)13/h1-5,8H,6-7,9-11H2,(H,19,20)
InChIKeyLKDNTHYHOWDFBW-UHFFFAOYSA-N
XLogP2.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(chloromethyl)oxan-4-yl]-3-methylpyridine-2-carboxamide
CID 114170454
N-[1-(bromomethyl)cyclohexyl]quinoline-8-carboxamide
CID 114314027
N-[4-(chloromethyl)oxan-4-yl]-2,3-dimethylbenzamide
CID 114170466
N-[4-(chloromethyl)oxan-4-yl]-2-(trifluoromethyl)benzamide
CID 106300646
2-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-carboxamide
CID 104630360
N-[1-(chloromethyl)cyclohexyl]quinoxaline-5-carboxamide
CID 104615746
N-(2-methyl-2-morpholin-4-ylpropyl)quinoline-8-carboxamide
CID 17459698
N-[4-(chloromethyl)oxan-4-yl]-2,4-dihydroxybenzamide
CID 106300280
N-[4-(chloromethyl)oxan-4-yl]thiophene-2-carboxamide
CID 106300315
N-(2-morpholin-4-ylethyl)quinoline-8-carboxamide
CID 30370396
6-fluoro-N-[4-(trifluoromethyl)oxan-4-yl]quinoline-8-carboxamide
CID 154756426
N-[4-(chloromethyl)oxan-4-yl]-3-fluorobenzamide
CID 106300657

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)oxan-4-yl]quinoline-8-carboxamide?
The IUPAC name of N-[4-(chloromethyl)oxan-4-yl]quinoline-8-carboxamide (CID 106300490) is N-[4-(chloromethyl)oxan-4-yl]quinoline-8-carboxamide.
What is the SMILES notation for N-[4-(chloromethyl)oxan-4-yl]quinoline-8-carboxamide?
The canonical SMILES for N-[4-(chloromethyl)oxan-4-yl]quinoline-8-carboxamide is O=C(NC1(CCl)CCOCC1)c1cccc2cccnc12.
What is the InChIKey of N-[4-(chloromethyl)oxan-4-yl]quinoline-8-carboxamide?
The InChIKey is LKDNTHYHOWDFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-11-16(6-9-21-10-7-16)19-15(20)13-5-1-3-12-4-2-8-18-14(12)13/h1-5,8H,6-7,9-11H2,(H,19,20).
What are the key properties of N-[4-(chloromethyl)oxan-4-yl]quinoline-8-carboxamide?
N-[4-(chloromethyl)oxan-4-yl]quinoline-8-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)oxan-4-yl]quinoline-8-carboxamide is sourced from PubChem (CID 106300490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).