7-[amino-(4-methyl-2-oxochromen-7-yl)amino]-3-methyl-2-oxochromene-4-carboxamide

C21H17N3O5 — CID 91273274

IUPAC7-[amino-(4-methyl-2-oxochromen-7-yl)amino]-3-methyl-2-oxochromene-4-carboxamide
SMILESCc1c(C(N)=O)c2ccc(N(N)c3ccc4c(C)cc(=O)oc4c3)cc2oc1=O
InChIInChI=1S/C21H17N3O5/c1-10-7-18(25)28-16-8-12(3-5-14(10)16)24(23)13-4-6-15-17(9-13)29-21(27)11(2)19(15)20(22)26/h3-9H,23H2,1-2H3,(H2,22,26)
InChIKeyYLJBSFOBHFKNNJ-UHFFFAOYSA-N
MW391.38 g/mol
LogP2.63
Rot. Bonds3

About 7-[amino-(4-methyl-2-oxochromen-7-yl)amino]-3-methyl-2-oxochromene-4-carboxamide

7-[amino-(4-methyl-2-oxochromen-7-yl)amino]-3-methyl-2-oxochromene-4-carboxamide (PubChem CID 91273274) has the molecular formula C21H17N3O5 and a molecular weight of 391.38 g/mol. Its IUPAC name is 7-[amino-(4-methyl-2-oxochromen-7-yl)amino]-3-methyl-2-oxochromene-4-carboxamide.

Molecular Properties

Compound Name7-[amino-(4-methyl-2-oxochromen-7-yl)amino]-3-methyl-2-oxochromene-4-carboxamide
PubChem CID91273274
Molecular FormulaC21H17N3O5
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC Name7-[amino-(4-methyl-2-oxochromen-7-yl)amino]-3-methyl-2-oxochromene-4-carboxamide
SMILESCc1c(C(N)=O)c2ccc(N(N)c3ccc4c(C)cc(=O)oc4c3)cc2oc1=O
InChIInChI=1S/C21H17N3O5/c1-10-7-18(25)28-16-8-12(3-5-14(10)16)24(23)13-4-6-15-17(9-13)29-21(27)11(2)19(15)20(22)26/h3-9H,23H2,1-2H3,(H2,22,26)
InChIKeyYLJBSFOBHFKNNJ-UHFFFAOYSA-N
XLogP2.63
TPSA132.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,1-diaminourea;4-methylchromen-2-one
CID 174896620
7-[ethyl(methyl)amino]-4-methylchromen-2-one
CID 142927379
7-(dibutylamino)-4-methylchromen-2-one
CID 57354868
sodium;7-(diethylamino)-4-methylchromen-2-one;hydride;sulfuric acid
CID 174050797
7-[6-hydroxyhexyl(methyl)amino]-4-methylchromen-2-one
CID 139664069
7-(diethylamino)-4-methylchromen-2-one sulfate
CID 23622381
sodium;hydride;7-hydroxy-4-methylchromen-2-one
CID 172995509
2-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 67394565
CID 89064299
CID 89064299
N-(2,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)carbamate
CID 57363248
(4-methyl-2-oxochromen-7-yl) 2-methylpropanoate
CID 728527
ethyl 7-amino-3-methyl-2-oxochromene-4-carboxylate
CID 141118474

Frequently Asked Questions

What is the IUPAC name of 7-[amino-(4-methyl-2-oxochromen-7-yl)amino]-3-methyl-2-oxochromene-4-carboxamide?
The IUPAC name of 7-[amino-(4-methyl-2-oxochromen-7-yl)amino]-3-methyl-2-oxochromene-4-carboxamide (CID 91273274) is 7-[amino-(4-methyl-2-oxochromen-7-yl)amino]-3-methyl-2-oxochromene-4-carboxamide.
What is the SMILES notation for 7-[amino-(4-methyl-2-oxochromen-7-yl)amino]-3-methyl-2-oxochromene-4-carboxamide?
The canonical SMILES for 7-[amino-(4-methyl-2-oxochromen-7-yl)amino]-3-methyl-2-oxochromene-4-carboxamide is Cc1c(C(N)=O)c2ccc(N(N)c3ccc4c(C)cc(=O)oc4c3)cc2oc1=O.
What is the InChIKey of 7-[amino-(4-methyl-2-oxochromen-7-yl)amino]-3-methyl-2-oxochromene-4-carboxamide?
The InChIKey is YLJBSFOBHFKNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5/c1-10-7-18(25)28-16-8-12(3-5-14(10)16)24(23)13-4-6-15-17(9-13)29-21(27)11(2)19(15)20(22)26/h3-9H,23H2,1-2H3,(H2,22,26).
What are the key properties of 7-[amino-(4-methyl-2-oxochromen-7-yl)amino]-3-methyl-2-oxochromene-4-carboxamide?
7-[amino-(4-methyl-2-oxochromen-7-yl)amino]-3-methyl-2-oxochromene-4-carboxamide has a molecular weight of 391.38 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[amino-(4-methyl-2-oxochromen-7-yl)amino]-3-methyl-2-oxochromene-4-carboxamide is sourced from PubChem (CID 91273274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).