N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

C30H31N3O4 — CID 19972519

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1
InChIInChI=1S/C30H31N3O4/c1-21-27(34)23-11-8-12-24(29(23)37-28(21)22-9-4-3-5-10-22)30(35)31-15-16-32-17-19-33(20-18-32)25-13-6-7-14-26(25)36-2/h3-14H,15-20H2,1-2H3,(H,31,35)
InChIKeyFWSZQMLRAZLIOL-UHFFFAOYSA-N
MW497.60 g/mol
LogP4.33
Rot. Bonds7

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide (PubChem CID 19972519) has the molecular formula C30H31N3O4 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
PubChem CID19972519
Molecular FormulaC30H31N3O4
Molecular Weight497.60 g/mol
Exact Mass497.23
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1
InChIInChI=1S/C30H31N3O4/c1-21-27(34)23-11-8-12-24(29(23)37-28(21)22-9-4-3-5-10-22)30(35)31-15-16-32-17-19-33(20-18-32)25-13-6-7-14-26(25)36-2/h3-14H,15-20H2,1-2H3,(H,31,35)
InChIKeyFWSZQMLRAZLIOL-UHFFFAOYSA-N
XLogP4.33
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide (CID 19972519) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide is COc1ccccc1N1CCN(CCNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The InChIKey is FWSZQMLRAZLIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O4/c1-21-27(34)23-11-8-12-24(29(23)37-28(21)22-9-4-3-5-10-22)30(35)31-15-16-32-17-19-33(20-18-32)25-13-6-7-14-26(25)36-2/h3-14H,15-20H2,1-2H3,(H,31,35).
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide has a molecular weight of 497.60 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide is sourced from PubChem (CID 19972519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).