7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-4-phenylchromen-2-one

C30H32N2O4 — CID 56971557

IUPAC7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-4-phenylchromen-2-one
SMILESCOc1ccccc1N1CCN(CCCCOc2ccc3c(-c4ccccc4)cc(=O)oc3c2)CC1
InChIInChI=1S/C30H32N2O4/c1-34-28-12-6-5-11-27(28)32-18-16-31(17-19-32)15-7-8-20-35-24-13-14-25-26(23-9-3-2-4-10-23)22-30(33)36-29(25)21-24/h2-6,9-14,21-22H,7-8,15-20H2,1H3
InChIKeyBLZQQQSUIRKTBO-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.45
Rot. Bonds9

About 7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-4-phenylchromen-2-one

7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-4-phenylchromen-2-one (PubChem CID 56971557) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is 7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-4-phenylchromen-2-one.

Molecular Properties

Compound Name7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-4-phenylchromen-2-one
PubChem CID56971557
Molecular FormulaC30H32N2O4
Molecular Weight484.60 g/mol
Exact Mass484.24
IUPAC Name7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-4-phenylchromen-2-one
SMILESCOc1ccccc1N1CCN(CCCCOc2ccc3c(-c4ccccc4)cc(=O)oc3c2)CC1
InChIInChI=1S/C30H32N2O4/c1-34-28-12-6-5-11-27(28)32-18-16-31(17-19-32)15-7-8-20-35-24-13-14-25-26(23-9-3-2-4-10-23)22-30(33)36-29(25)21-24/h2-6,9-14,21-22H,7-8,15-20H2,1H3
InChIKeyBLZQQQSUIRKTBO-UHFFFAOYSA-N
XLogP5.45
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]isoindole-1,3-dione
CID 10323108
7-ethoxy-4-phenylchromen-2-one
CID 678937
1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 139690645
N-[3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide
CID 3379087
7-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]chromen-2-one
CID 134098503
7-[4-(4-acetylpiperazin-1-yl)butoxy]-3-phenylchromen-4-one
CID 10971851
5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-2-methyl-1,3-benzothiazole
CID 146025612
7-[2-(azocan-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one
CID 8806120
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3-benzoxazol-2-one
CID 10714877
4-phenyl-7-[2-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]ethoxy]chromen-2-one
CID 118734708
[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine
CID 139749924
7-[(2R)-1-methoxypropan-2-yl]oxy-4-phenylchromen-2-one
CID 172878951

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-4-phenylchromen-2-one?
The IUPAC name of 7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-4-phenylchromen-2-one (CID 56971557) is 7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-4-phenylchromen-2-one.
What is the SMILES notation for 7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-4-phenylchromen-2-one?
The canonical SMILES for 7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-4-phenylchromen-2-one is COc1ccccc1N1CCN(CCCCOc2ccc3c(-c4ccccc4)cc(=O)oc3c2)CC1.
What is the InChIKey of 7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-4-phenylchromen-2-one?
The InChIKey is BLZQQQSUIRKTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4/c1-34-28-12-6-5-11-27(28)32-18-16-31(17-19-32)15-7-8-20-35-24-13-14-25-26(23-9-3-2-4-10-23)22-30(33)36-29(25)21-24/h2-6,9-14,21-22H,7-8,15-20H2,1H3.
What are the key properties of 7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-4-phenylchromen-2-one?
7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-4-phenylchromen-2-one has a molecular weight of 484.60 g/mol, XLogP of 5.45, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-4-phenylchromen-2-one is sourced from PubChem (CID 56971557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).