6-chloro-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-oxochromene-3-carboxamide

C19H21ClN2O4 — CID 171909285

IUPAC6-chloro-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-oxochromene-3-carboxamide
SMILESO=C(NCC1CC2(CCNCC2)CO1)c1cc2cc(Cl)ccc2oc1=O
InChIInChI=1S/C19H21ClN2O4/c20-13-1-2-16-12(7-13)8-15(18(24)26-16)17(23)22-10-14-9-19(11-25-14)3-5-21-6-4-19/h1-2,7-8,14,21H,3-6,9-11H2,(H,22,23)
InChIKeyIJDACQYYLSIITD-UHFFFAOYSA-N
MW376.84 g/mol
LogP2.33
Rot. Bonds3

About 6-chloro-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-oxochromene-3-carboxamide

6-chloro-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-oxochromene-3-carboxamide (PubChem CID 171909285) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 6-chloro-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-oxochromene-3-carboxamide
PubChem CID171909285
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name6-chloro-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-oxochromene-3-carboxamide
SMILESO=C(NCC1CC2(CCNCC2)CO1)c1cc2cc(Cl)ccc2oc1=O
InChIInChI=1S/C19H21ClN2O4/c20-13-1-2-16-12(7-13)8-15(18(24)26-16)17(23)22-10-14-9-19(11-25-14)3-5-21-6-4-19/h1-2,7-8,14,21H,3-6,9-11H2,(H,22,23)
InChIKeyIJDACQYYLSIITD-UHFFFAOYSA-N
XLogP2.33
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 862279
2-hydroxy-4-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride
CID 154917317
2-hydroxy-6-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride
CID 154918040
3-(2-fluorophenyl)-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide
CID 131925747
6-chloro-N-naphthalen-1-yl-2-oxochromene-3-carboxamide
CID 792586
5-chloro-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 19240931
6-chloro-2-(5-chloro-2-fluorophenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184990
6-nitro-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 714835
6-chloro-N-(2,3-dimethylphenyl)-2-oxochromene-3-carboxamide
CID 2987293
6-chloro-N-(3,5-dimethylphenyl)-2-oxochromene-3-carboxamide
CID 100795001
6-chloro-N-[[(2R)-oxolan-2-yl]methyl]-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide
CID 95184885
6-chloro-2-(4-fluoro-3-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184972

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-oxochromene-3-carboxamide (CID 171909285) is 6-chloro-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-oxochromene-3-carboxamide is O=C(NCC1CC2(CCNCC2)CO1)c1cc2cc(Cl)ccc2oc1=O.
What is the InChIKey of 6-chloro-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-oxochromene-3-carboxamide?
The InChIKey is IJDACQYYLSIITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c20-13-1-2-16-12(7-13)8-15(18(24)26-16)17(23)22-10-14-9-19(11-25-14)3-5-21-6-4-19/h1-2,7-8,14,21H,3-6,9-11H2,(H,22,23).
What are the key properties of 6-chloro-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-oxochromene-3-carboxamide?
6-chloro-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-oxochromene-3-carboxamide has a molecular weight of 376.84 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 171909285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).