[4-(6-chloro-2-oxochromen-3-yl)-2-oxochromen-7-yl] N,N-dimethylcarbamate

C21H14ClNO6 — CID 7198182

IUPAC[4-(6-chloro-2-oxochromen-3-yl)-2-oxochromen-7-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc2c(-c3cc4cc(Cl)ccc4oc3=O)cc(=O)oc2c1
InChIInChI=1S/C21H14ClNO6/c1-23(2)21(26)27-13-4-5-14-15(10-19(24)28-18(14)9-13)16-8-11-7-12(22)3-6-17(11)29-20(16)25/h3-10H,1-2H3
InChIKeyRSYWTOKKDMRIGM-UHFFFAOYSA-N
MW411.80 g/mol
LogP4.28
Rot. Bonds2

About [4-(6-chloro-2-oxochromen-3-yl)-2-oxochromen-7-yl] N,N-dimethylcarbamate

[4-(6-chloro-2-oxochromen-3-yl)-2-oxochromen-7-yl] N,N-dimethylcarbamate (PubChem CID 7198182) has the molecular formula C21H14ClNO6 and a molecular weight of 411.80 g/mol. Its IUPAC name is [4-(6-chloro-2-oxochromen-3-yl)-2-oxochromen-7-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[4-(6-chloro-2-oxochromen-3-yl)-2-oxochromen-7-yl] N,N-dimethylcarbamate
PubChem CID7198182
Molecular FormulaC21H14ClNO6
Molecular Weight411.80 g/mol
Exact Mass411.05
IUPAC Name[4-(6-chloro-2-oxochromen-3-yl)-2-oxochromen-7-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc2c(-c3cc4cc(Cl)ccc4oc3=O)cc(=O)oc2c1
InChIInChI=1S/C21H14ClNO6/c1-23(2)21(26)27-13-4-5-14-15(10-19(24)28-18(14)9-13)16-8-11-7-12(22)3-6-17(11)29-20(16)25/h3-10H,1-2H3
InChIKeyRSYWTOKKDMRIGM-UHFFFAOYSA-N
XLogP4.28
TPSA89.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.80
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-(6-bromo-2-oxochromen-3-yl)-2-oxochromen-7-yl] 4-methoxybenzoate
CID 95397661
[2-oxo-4-(2-oxochromen-3-yl)chromen-7-yl] 2,2-dimethylpropanoate
CID 7198205
[4-(4-methoxyphenyl)-2-oxochromen-7-yl] 2,4-dichlorobenzoate
CID 2271814
6-methyl-3-(6-methyl-2-oxochromen-4-yl)chromen-2-one
CID 139087005
2-(6-chloro-2-oxochromen-3-yl)benzoic acid
CID 23968320
[3-(1,3-benzodioxol-5-yl)-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate
CID 4966268
[4-(8-ethoxy-2-oxochromen-3-yl)-2-oxochromen-7-yl] 2-methylpropanoate
CID 18561631
[4-(8-methoxy-2-oxochromen-3-yl)-2-oxochromen-7-yl] 2-bromobenzoate
CID 95397722
(3,4-dimethyl-2-oxochromen-7-yl) 4-chlorobenzoate
CID 2979976
[3-[[3-(chloromethyl)-2-fluorophenyl]methyl]-4-[(dimethylamino)methyl]-2-oxochromen-7-yl] N,N-dimethylcarbamate
CID 168982897
[3-[(6-amino-2-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate
CID 59139378
7-[(2,6-difluorophenyl)methoxy]-3-(7-methoxy-2-oxochromen-4-yl)chromen-2-one
CID 4967566

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-2-oxochromen-3-yl)-2-oxochromen-7-yl] N,N-dimethylcarbamate?
The IUPAC name of [4-(6-chloro-2-oxochromen-3-yl)-2-oxochromen-7-yl] N,N-dimethylcarbamate (CID 7198182) is [4-(6-chloro-2-oxochromen-3-yl)-2-oxochromen-7-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [4-(6-chloro-2-oxochromen-3-yl)-2-oxochromen-7-yl] N,N-dimethylcarbamate?
The canonical SMILES for [4-(6-chloro-2-oxochromen-3-yl)-2-oxochromen-7-yl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccc2c(-c3cc4cc(Cl)ccc4oc3=O)cc(=O)oc2c1.
What is the InChIKey of [4-(6-chloro-2-oxochromen-3-yl)-2-oxochromen-7-yl] N,N-dimethylcarbamate?
The InChIKey is RSYWTOKKDMRIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO6/c1-23(2)21(26)27-13-4-5-14-15(10-19(24)28-18(14)9-13)16-8-11-7-12(22)3-6-17(11)29-20(16)25/h3-10H,1-2H3.
What are the key properties of [4-(6-chloro-2-oxochromen-3-yl)-2-oxochromen-7-yl] N,N-dimethylcarbamate?
[4-(6-chloro-2-oxochromen-3-yl)-2-oxochromen-7-yl] N,N-dimethylcarbamate has a molecular weight of 411.80 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-2-oxochromen-3-yl)-2-oxochromen-7-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 7198182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).