7-methoxy-N-naphthalen-2-yl-4-oxochromene-2-carboxamide

C21H15NO4 — CID 51998176

IUPAC7-methoxy-N-naphthalen-2-yl-4-oxochromene-2-carboxamide
SMILESCOc1ccc2c(=O)cc(C(=O)Nc3ccc4ccccc4c3)oc2c1
InChIInChI=1S/C21H15NO4/c1-25-16-8-9-17-18(23)12-20(26-19(17)11-16)21(24)22-15-7-6-13-4-2-3-5-14(13)10-15/h2-12H,1H3,(H,22,24)
InChIKeySWOVAULWNNIBDZ-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.21
Rot. Bonds3

About 7-methoxy-N-naphthalen-2-yl-4-oxochromene-2-carboxamide

7-methoxy-N-naphthalen-2-yl-4-oxochromene-2-carboxamide (PubChem CID 51998176) has the molecular formula C21H15NO4 and a molecular weight of 345.35 g/mol. Its IUPAC name is 7-methoxy-N-naphthalen-2-yl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-naphthalen-2-yl-4-oxochromene-2-carboxamide
PubChem CID51998176
Molecular FormulaC21H15NO4
Molecular Weight345.35 g/mol
Exact Mass345.10
IUPAC Name7-methoxy-N-naphthalen-2-yl-4-oxochromene-2-carboxamide
SMILESCOc1ccc2c(=O)cc(C(=O)Nc3ccc4ccccc4c3)oc2c1
InChIInChI=1S/C21H15NO4/c1-25-16-8-9-17-18(23)12-20(26-19(17)11-16)21(24)22-15-7-6-13-4-2-3-5-14(13)10-15/h2-12H,1H3,(H,22,24)
InChIKeySWOVAULWNNIBDZ-UHFFFAOYSA-N
XLogP4.21
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide
CID 51998193
7-methoxy-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide
CID 51998270
methyl 7-methoxy-4-oxochromene-2-carboxylate
CID 739444
N-(1-ethylpyrazol-4-yl)-7-methoxy-4-oxochromene-2-carboxamide
CID 51998327
7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11464897
6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide
CID 16645470
5-methoxy-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 51432206
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-oxochromene-2-carboxamide
CID 3550447
N-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998192
N-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998191
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
CID 7968524
[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
CID 42972427

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-naphthalen-2-yl-4-oxochromene-2-carboxamide?
The IUPAC name of 7-methoxy-N-naphthalen-2-yl-4-oxochromene-2-carboxamide (CID 51998176) is 7-methoxy-N-naphthalen-2-yl-4-oxochromene-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-naphthalen-2-yl-4-oxochromene-2-carboxamide?
The canonical SMILES for 7-methoxy-N-naphthalen-2-yl-4-oxochromene-2-carboxamide is COc1ccc2c(=O)cc(C(=O)Nc3ccc4ccccc4c3)oc2c1.
What is the InChIKey of 7-methoxy-N-naphthalen-2-yl-4-oxochromene-2-carboxamide?
The InChIKey is SWOVAULWNNIBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO4/c1-25-16-8-9-17-18(23)12-20(26-19(17)11-16)21(24)22-15-7-6-13-4-2-3-5-14(13)10-15/h2-12H,1H3,(H,22,24).
What are the key properties of 7-methoxy-N-naphthalen-2-yl-4-oxochromene-2-carboxamide?
7-methoxy-N-naphthalen-2-yl-4-oxochromene-2-carboxamide has a molecular weight of 345.35 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-naphthalen-2-yl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 51998176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).