2-amino-5,6-dimethoxybenzo[f]chromen-3-one

C15H13NO4 — CID 134912280

IUPAC2-amino-5,6-dimethoxybenzo[f]chromen-3-one
SMILESCOc1c(OC)c2oc(=O)c(N)cc2c2ccccc12
InChIInChI=1S/C15H13NO4/c1-18-12-9-6-4-3-5-8(9)10-7-11(16)15(17)20-13(10)14(12)19-2/h3-7H,16H2,1-2H3
InChIKeyTXVILRKPCBHYFP-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.55
Rot. Bonds2

About 2-amino-5,6-dimethoxybenzo[f]chromen-3-one

2-amino-5,6-dimethoxybenzo[f]chromen-3-one (PubChem CID 134912280) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-amino-5,6-dimethoxybenzo[f]chromen-3-one.

Molecular Properties

Compound Name2-amino-5,6-dimethoxybenzo[f]chromen-3-one
PubChem CID134912280
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name2-amino-5,6-dimethoxybenzo[f]chromen-3-one
SMILESCOc1c(OC)c2oc(=O)c(N)cc2c2ccccc12
InChIInChI=1S/C15H13NO4/c1-18-12-9-6-4-3-5-8(9)10-7-11(16)15(17)20-13(10)14(12)19-2/h3-7H,16H2,1-2H3
InChIKeyTXVILRKPCBHYFP-UHFFFAOYSA-N
XLogP2.55
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(4,9-dimethoxybenzo[f][1]benzofuran-2-yl)-phenylmethanone
CID 66561178
3,4-dimethoxyisochromen-1-one
CID 22924346
5,7,8-trimethoxy-3-phenylchromen-2-one
CID 134912099
3-methoxy-4-methylbenzo[c]chromen-6-one
CID 681437
methyl 3,4,8-trimethoxy-6-oxobenzo[c]chromene-2-carboxylate
CID 631298
6-bromo-5,7,8-trimethoxy-2-oxochromene-3-carbaldehyde
CID 134911721
benzo[d][2]benzoxepine-5,7-dione;ethane
CID 90954476
3-amino-8-propan-2-ylchromen-2-one
CID 59144751
(4-ethoxycarbonyloxy-2,3-dimethoxynaphthalen-1-yl) ethyl carbonate
CID 14302873
8-amino-10-methoxybenzo[c]chromen-6-one
CID 18732397
4,9-dimethoxybenzo[f][1,3]benzodioxole
CID 12558262
3-fluoro-8-methoxy-4-methylchromen-2-one
CID 164597480

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6-dimethoxybenzo[f]chromen-3-one?
The IUPAC name of 2-amino-5,6-dimethoxybenzo[f]chromen-3-one (CID 134912280) is 2-amino-5,6-dimethoxybenzo[f]chromen-3-one.
What is the SMILES notation for 2-amino-5,6-dimethoxybenzo[f]chromen-3-one?
The canonical SMILES for 2-amino-5,6-dimethoxybenzo[f]chromen-3-one is COc1c(OC)c2oc(=O)c(N)cc2c2ccccc12.
What is the InChIKey of 2-amino-5,6-dimethoxybenzo[f]chromen-3-one?
The InChIKey is TXVILRKPCBHYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-18-12-9-6-4-3-5-8(9)10-7-11(16)15(17)20-13(10)14(12)19-2/h3-7H,16H2,1-2H3.
What are the key properties of 2-amino-5,6-dimethoxybenzo[f]chromen-3-one?
2-amino-5,6-dimethoxybenzo[f]chromen-3-one has a molecular weight of 271.27 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6-dimethoxybenzo[f]chromen-3-one is sourced from PubChem (CID 134912280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).