7-methoxy-2-phenyliminochromene-3-carboxamide

C17H14N2O3 — CID 3965509

IUPAC7-methoxy-2-phenyliminochromene-3-carboxamide
SMILESCOc1ccc2cc(C(N)=O)/c(=N/c3ccccc3)oc2c1
InChIInChI=1S/C17H14N2O3/c1-21-13-8-7-11-9-14(16(18)20)17(22-15(11)10-13)19-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,20)/b19-17-
InChIKeyOFQBVHWSWBTCOR-ZPHPHTNESA-N
MW294.31 g/mol
LogP2.77
Rot. Bonds3

About 7-methoxy-2-phenyliminochromene-3-carboxamide

7-methoxy-2-phenyliminochromene-3-carboxamide (PubChem CID 3965509) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 7-methoxy-2-phenyliminochromene-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-2-phenyliminochromene-3-carboxamide
PubChem CID3965509
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name7-methoxy-2-phenyliminochromene-3-carboxamide
SMILESCOc1ccc2cc(C(N)=O)/c(=N/c3ccccc3)oc2c1
InChIInChI=1S/C17H14N2O3/c1-21-13-8-7-11-9-14(16(18)20)17(22-15(11)10-13)19-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,20)/b19-17-
InChIKeyOFQBVHWSWBTCOR-ZPHPHTNESA-N
XLogP2.77
TPSA77.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-phenyliminochromene-3-carboxamide?
The IUPAC name of 7-methoxy-2-phenyliminochromene-3-carboxamide (CID 3965509) is 7-methoxy-2-phenyliminochromene-3-carboxamide.
What is the SMILES notation for 7-methoxy-2-phenyliminochromene-3-carboxamide?
The canonical SMILES for 7-methoxy-2-phenyliminochromene-3-carboxamide is COc1ccc2cc(C(N)=O)/c(=N/c3ccccc3)oc2c1.
What is the InChIKey of 7-methoxy-2-phenyliminochromene-3-carboxamide?
The InChIKey is OFQBVHWSWBTCOR-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H14N2O3/c1-21-13-8-7-11-9-14(16(18)20)17(22-15(11)10-13)19-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,20)/b19-17-.
What are the key properties of 7-methoxy-2-phenyliminochromene-3-carboxamide?
7-methoxy-2-phenyliminochromene-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-phenyliminochromene-3-carboxamide is sourced from PubChem (CID 3965509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).