2-(5-amino-2-chlorophenyl)-6,7-dimethylchromen-4-one

C17H14ClNO2 — CID 82046653

IUPAC2-(5-amino-2-chlorophenyl)-6,7-dimethylchromen-4-one
SMILESCc1cc2oc(-c3cc(N)ccc3Cl)cc(=O)c2cc1C
InChIInChI=1S/C17H14ClNO2/c1-9-5-13-15(20)8-17(21-16(13)6-10(9)2)12-7-11(19)3-4-14(12)18/h3-8H,19H2,1-2H3
InChIKeyHIIQXKCCELZNJU-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.31
Rot. Bonds1

About 2-(5-amino-2-chlorophenyl)-6,7-dimethylchromen-4-one

2-(5-amino-2-chlorophenyl)-6,7-dimethylchromen-4-one (PubChem CID 82046653) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-(5-amino-2-chlorophenyl)-6,7-dimethylchromen-4-one.

Molecular Properties

Compound Name2-(5-amino-2-chlorophenyl)-6,7-dimethylchromen-4-one
PubChem CID82046653
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name2-(5-amino-2-chlorophenyl)-6,7-dimethylchromen-4-one
SMILESCc1cc2oc(-c3cc(N)ccc3Cl)cc(=O)c2cc1C
InChIInChI=1S/C17H14ClNO2/c1-9-5-13-15(20)8-17(21-16(13)6-10(9)2)12-7-11(19)3-4-14(12)18/h3-8H,19H2,1-2H3
InChIKeyHIIQXKCCELZNJU-UHFFFAOYSA-N
XLogP4.31
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-amino-2-chlorophenyl)-7-methylchromen-4-one
CID 82046648
2-(5-amino-2-chlorophenyl)-7-ethylchromen-4-one
CID 82046651
2-(2-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 13190885
9-(4-amino-2-methylphenyl)-2,7-dichloro-6-hydroxyxanthen-3-one
CID 142434418
3-(5-amino-2-chlorophenyl)-4-chloroaniline
CID 67542413
2-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methylchromen-4-one
CID 2017751
6-amino-2-(3-methylphenyl)chromen-4-one
CID 18568648
6-chloro-2-(2-chlorophenyl)chromen-4-one
CID 688872
2-(4-aminophenyl)-6-methylchromen-4-one
CID 10999496
2-(4-aminophenyl)-6-chlorochromen-4-one
CID 82046480
6-chloro-2-[4-(4-chlorophenoxy)phenyl]-7-methylchromen-4-one
CID 73352575
7-bromo-2-(2-hydroxyphenyl)-6-methylchromen-4-one
CID 100964512

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-chlorophenyl)-6,7-dimethylchromen-4-one?
The IUPAC name of 2-(5-amino-2-chlorophenyl)-6,7-dimethylchromen-4-one (CID 82046653) is 2-(5-amino-2-chlorophenyl)-6,7-dimethylchromen-4-one.
What is the SMILES notation for 2-(5-amino-2-chlorophenyl)-6,7-dimethylchromen-4-one?
The canonical SMILES for 2-(5-amino-2-chlorophenyl)-6,7-dimethylchromen-4-one is Cc1cc2oc(-c3cc(N)ccc3Cl)cc(=O)c2cc1C.
What is the InChIKey of 2-(5-amino-2-chlorophenyl)-6,7-dimethylchromen-4-one?
The InChIKey is HIIQXKCCELZNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-9-5-13-15(20)8-17(21-16(13)6-10(9)2)12-7-11(19)3-4-14(12)18/h3-8H,19H2,1-2H3.
What are the key properties of 2-(5-amino-2-chlorophenyl)-6,7-dimethylchromen-4-one?
2-(5-amino-2-chlorophenyl)-6,7-dimethylchromen-4-one has a molecular weight of 299.76 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-chlorophenyl)-6,7-dimethylchromen-4-one is sourced from PubChem (CID 82046653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).