6-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-2-oxochromene-3-carboxamide

C18H19ClN2O5 — CID 171907033

IUPAC6-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-2-oxochromene-3-carboxamide
SMILESO=C(N[C@H]1COC[C@@H]1N1CCOCC1)c1cc2cc(Cl)ccc2oc1=O
InChIInChI=1S/C18H19ClN2O5/c19-12-1-2-16-11(7-12)8-13(18(23)26-16)17(22)20-14-9-25-10-15(14)21-3-5-24-6-4-21/h1-2,7-8,14-15H,3-6,9-10H2,(H,20,22)/t14-,15-/m0/s1
InChIKeyKRPFVIFUKAAOEM-GJZGRUSLSA-N
MW378.81 g/mol
LogP1.28
Rot. Bonds3

About 6-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-2-oxochromene-3-carboxamide

6-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-2-oxochromene-3-carboxamide (PubChem CID 171907033) has the molecular formula C18H19ClN2O5 and a molecular weight of 378.81 g/mol. Its IUPAC name is 6-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-2-oxochromene-3-carboxamide
PubChem CID171907033
Molecular FormulaC18H19ClN2O5
Molecular Weight378.81 g/mol
Exact Mass378.10
IUPAC Name6-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-2-oxochromene-3-carboxamide
SMILESO=C(N[C@H]1COC[C@@H]1N1CCOCC1)c1cc2cc(Cl)ccc2oc1=O
InChIInChI=1S/C18H19ClN2O5/c19-12-1-2-16-11(7-12)8-13(18(23)26-16)17(22)20-14-9-25-10-15(14)21-3-5-24-6-4-21/h1-2,7-8,14-15H,3-6,9-10H2,(H,20,22)/t14-,15-/m0/s1
InChIKeyKRPFVIFUKAAOEM-GJZGRUSLSA-N
XLogP1.28
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyridine-3-carboxamide
CID 122571640
6-chloro-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 862279
6-chloro-N-(3,5-dimethylphenyl)-2-oxochromene-3-carboxamide
CID 100795001
6-chloro-3-[1-(hydroxyamino)ethenyl]chromen-2-one
CID 2324868
6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxochromene-3-carboxamide
CID 100795033
6-chloro-N-(3,4-dichlorophenyl)-2-oxochromene-3-carboxamide
CID 100795015
6-chloro-3-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)chromen-2-one
CID 171912685
8-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-(2-methoxy-2-oxoethyl)-7-oxo-2-thiabicyclo[4.2.0]oct-4-ene-5-carboxylic acid
CID 102317763
methyl 2-chloro-5-[[(3S,4S)-4-morpholin-4-yloxolan-3-yl]carbamoylamino]benzoate
CID 133129286
5-methyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyrazine-2-carboxamide
CID 91787977
6-chloro-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-oxochromene-3-carboxamide
CID 171909285
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-oxochromene-3-carboxamide
CID 18121067

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-2-oxochromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-2-oxochromene-3-carboxamide (CID 171907033) is 6-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-2-oxochromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-2-oxochromene-3-carboxamide is O=C(N[C@H]1COC[C@@H]1N1CCOCC1)c1cc2cc(Cl)ccc2oc1=O.
What is the InChIKey of 6-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-2-oxochromene-3-carboxamide?
The InChIKey is KRPFVIFUKAAOEM-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H19ClN2O5/c19-12-1-2-16-11(7-12)8-13(18(23)26-16)17(22)20-14-9-25-10-15(14)21-3-5-24-6-4-21/h1-2,7-8,14-15H,3-6,9-10H2,(H,20,22)/t14-,15-/m0/s1.
What are the key properties of 6-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-2-oxochromene-3-carboxamide?
6-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-2-oxochromene-3-carboxamide has a molecular weight of 378.81 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 171907033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).