7-(4-methoxyanilino)-2-phenylchromen-4-one

C22H17NO3 — CID 122366467

IUPAC7-(4-methoxyanilino)-2-phenylchromen-4-one
SMILESCOc1ccc(Nc2ccc3c(=O)cc(-c4ccccc4)oc3c2)cc1
InChIInChI=1S/C22H17NO3/c1-25-18-10-7-16(8-11-18)23-17-9-12-19-20(24)14-21(26-22(19)13-17)15-5-3-2-4-6-15/h2-14,23H,1H3
InChIKeyMMHILGCQINCWQP-UHFFFAOYSA-N
MW343.38 g/mol
LogP5.21
Rot. Bonds4

About 7-(4-methoxyanilino)-2-phenylchromen-4-one

7-(4-methoxyanilino)-2-phenylchromen-4-one (PubChem CID 122366467) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 7-(4-methoxyanilino)-2-phenylchromen-4-one.

Molecular Properties

Compound Name7-(4-methoxyanilino)-2-phenylchromen-4-one
PubChem CID122366467
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name7-(4-methoxyanilino)-2-phenylchromen-4-one
SMILESCOc1ccc(Nc2ccc3c(=O)cc(-c4ccccc4)oc3c2)cc1
InChIInChI=1S/C22H17NO3/c1-25-18-10-7-16(8-11-18)23-17-9-12-19-20(24)14-21(26-22(19)13-17)15-5-3-2-4-6-15/h2-14,23H,1H3
InChIKeyMMHILGCQINCWQP-UHFFFAOYSA-N
XLogP5.21
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.38
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-(4-oxo-2-phenylchromen-7-yl)oxyacetamide
CID 44587589
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
(4-oxo-2-phenylchromen-7-yl) acetate
CID 12553720
2-(4-bromophenyl)-7-methoxychromen-4-one
CID 25032618
N-[2-(4-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide
CID 18568866
7-(aminomethoxy)-2-phenylchromen-4-one
CID 88981514
6-methoxy-2-[4-(pyrimidin-2-ylamino)phenyl]chromen-4-one
CID 108773151
7-[(2Z)-2-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxopropylidene]hydrazinyl]-2-phenylchromen-4-one
CID 66572732
2-(6-methoxynaphthalen-2-yl)chromen-4-one
CID 132606136
7-hydroxy-2-phenylchromen-4-one
CID 5281894
6,7-dimethoxy-2-[4-(4-methoxyphenyl)phenyl]chromen-4-one
CID 155754088
3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide
CID 18568778

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyanilino)-2-phenylchromen-4-one?
The IUPAC name of 7-(4-methoxyanilino)-2-phenylchromen-4-one (CID 122366467) is 7-(4-methoxyanilino)-2-phenylchromen-4-one.
What is the SMILES notation for 7-(4-methoxyanilino)-2-phenylchromen-4-one?
The canonical SMILES for 7-(4-methoxyanilino)-2-phenylchromen-4-one is COc1ccc(Nc2ccc3c(=O)cc(-c4ccccc4)oc3c2)cc1.
What is the InChIKey of 7-(4-methoxyanilino)-2-phenylchromen-4-one?
The InChIKey is MMHILGCQINCWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c1-25-18-10-7-16(8-11-18)23-17-9-12-19-20(24)14-21(26-22(19)13-17)15-5-3-2-4-6-15/h2-14,23H,1H3.
What are the key properties of 7-(4-methoxyanilino)-2-phenylchromen-4-one?
7-(4-methoxyanilino)-2-phenylchromen-4-one has a molecular weight of 343.38 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyanilino)-2-phenylchromen-4-one is sourced from PubChem (CID 122366467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).