2-(3,4-dimethylphenyl)imino-7-hydroxychromene-3-carboxamide

C18H16N2O3 — CID 135631684

IUPAC2-(3,4-dimethylphenyl)imino-7-hydroxychromene-3-carboxamide
SMILESCc1ccc(/N=c2\oc3cc(O)ccc3cc2C(N)=O)cc1C
InChIInChI=1S/C18H16N2O3/c1-10-3-5-13(7-11(10)2)20-18-15(17(19)22)8-12-4-6-14(21)9-16(12)23-18/h3-9,21H,1-2H3,(H2,19,22)/b20-18-
InChIKeySXNDKNOYMKXCKT-ZZEZOPTASA-N
MW308.34 g/mol
LogP3.09
Rot. Bonds2

About 2-(3,4-dimethylphenyl)imino-7-hydroxychromene-3-carboxamide

2-(3,4-dimethylphenyl)imino-7-hydroxychromene-3-carboxamide (PubChem CID 135631684) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)imino-7-hydroxychromene-3-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)imino-7-hydroxychromene-3-carboxamide
PubChem CID135631684
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-(3,4-dimethylphenyl)imino-7-hydroxychromene-3-carboxamide
SMILESCc1ccc(/N=c2\oc3cc(O)ccc3cc2C(N)=O)cc1C
InChIInChI=1S/C18H16N2O3/c1-10-3-5-13(7-11(10)2)20-18-15(17(19)22)8-12-4-6-14(21)9-16(12)23-18/h3-9,21H,1-2H3,(H2,19,22)/b20-18-
InChIKeySXNDKNOYMKXCKT-ZZEZOPTASA-N
XLogP3.09
TPSA88.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)imino-7-hydroxychromene-3-carboxamide?
The IUPAC name of 2-(3,4-dimethylphenyl)imino-7-hydroxychromene-3-carboxamide (CID 135631684) is 2-(3,4-dimethylphenyl)imino-7-hydroxychromene-3-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)imino-7-hydroxychromene-3-carboxamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)imino-7-hydroxychromene-3-carboxamide is Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(N)=O)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)imino-7-hydroxychromene-3-carboxamide?
The InChIKey is SXNDKNOYMKXCKT-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H16N2O3/c1-10-3-5-13(7-11(10)2)20-18-15(17(19)22)8-12-4-6-14(21)9-16(12)23-18/h3-9,21H,1-2H3,(H2,19,22)/b20-18-.
What are the key properties of 2-(3,4-dimethylphenyl)imino-7-hydroxychromene-3-carboxamide?
2-(3,4-dimethylphenyl)imino-7-hydroxychromene-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)imino-7-hydroxychromene-3-carboxamide is sourced from PubChem (CID 135631684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).