6-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride

C19H20Cl2N2O4 — CID 146052662

IUPAC6-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride
SMILESCc1ccc(C(CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)N(C)C)o1.Cl
InChIInChI=1S/C19H19ClN2O4.ClH/c1-11-4-6-17(25-11)14(22(2)3)10-21-19(24)18-9-15(23)13-8-12(20)5-7-16(13)26-18;/h4-9,14H,10H2,1-3H3,(H,21,24);1H
InChIKeyHOJHNPDNQPEDJV-UHFFFAOYSA-N
MW411.29 g/mol
LogP3.80
Rot. Bonds5

About 6-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride

6-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride (PubChem CID 146052662) has the molecular formula C19H20Cl2N2O4 and a molecular weight of 411.29 g/mol. Its IUPAC name is 6-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride
PubChem CID146052662
Molecular FormulaC19H20Cl2N2O4
Molecular Weight411.29 g/mol
Exact Mass410.08
IUPAC Name6-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride
SMILESCc1ccc(C(CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)N(C)C)o1.Cl
InChIInChI=1S/C19H19ClN2O4.ClH/c1-11-4-6-17(25-11)14(22(2)3)10-21-19(24)18-9-15(23)13-8-12(20)5-7-16(13)26-18;/h4-9,14H,10H2,1-3H3,(H,21,24);1H
InChIKeyHOJHNPDNQPEDJV-UHFFFAOYSA-N
XLogP3.80
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxochromene-2-carboxamide
CID 26834060
N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide
CID 26834943
6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-4-oxochromene-2-carboxamide
CID 9481083
4-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide
CID 22509557
2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]acetamide
CID 26834501
6-bromo-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 45155004
6-chloro-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-7-methyl-4-oxochromene-2-carboxamide
CID 26834146
N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]furan-2-carboxamide;hydrochloride
CID 146052539
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 35575343
5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 146052666
6-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 45132876
6-chloro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 35574606

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride?
The IUPAC name of 6-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride (CID 146052662) is 6-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride.
What is the SMILES notation for 6-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride?
The canonical SMILES for 6-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride is Cc1ccc(C(CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)N(C)C)o1.Cl.
What is the InChIKey of 6-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride?
The InChIKey is HOJHNPDNQPEDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4.ClH/c1-11-4-6-17(25-11)14(22(2)3)10-21-19(24)18-9-15(23)13-8-12(20)5-7-16(13)26-18;/h4-9,14H,10H2,1-3H3,(H,21,24);1H.
What are the key properties of 6-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride?
6-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride has a molecular weight of 411.29 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride is sourced from PubChem (CID 146052662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).