2-hydroxy-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide

C22H27N3O4 — CID 22064018

IUPAC2-hydroxy-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide
SMILESCOc1ccc(C(=O)NC2COc3cccc(N4CCN(C)CC4)c3C2)c(O)c1
InChIInChI=1S/C22H27N3O4/c1-24-8-10-25(11-9-24)19-4-3-5-21-18(19)12-15(14-29-21)23-22(27)17-7-6-16(28-2)13-20(17)26/h3-7,13,15,26H,8-12,14H2,1-2H3,(H,23,27)
InChIKeyZAIPRJSUOPTNEC-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.89
Rot. Bonds4

About 2-hydroxy-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide

2-hydroxy-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide (PubChem CID 22064018) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide
PubChem CID22064018
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name2-hydroxy-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide
SMILESCOc1ccc(C(=O)NC2COc3cccc(N4CCN(C)CC4)c3C2)c(O)c1
InChIInChI=1S/C22H27N3O4/c1-24-8-10-25(11-9-24)19-4-3-5-21-18(19)12-15(14-29-21)23-22(27)17-7-6-16(28-2)13-20(17)26/h3-7,13,15,26H,8-12,14H2,1-2H3,(H,23,27)
InChIKeyZAIPRJSUOPTNEC-UHFFFAOYSA-N
XLogP1.89
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4-propan-2-yloxybenzamide
CID 25054984
[4-[[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]phenyl] trifluoromethanesulfonate
CID 25054728
4-(dimethylamino)-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 22896535
N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpyridine-2-carboxamide
CID 25054987
2-hydroxy-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47375174
1-benzyl-3-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-1-propan-2-ylurea
CID 25054985
2,4-dimethoxy-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 66813447
2-hydroxy-4-methoxy-N-(oxan-4-yl)benzamide
CID 43610298
2-hydroxy-4-methoxy-N-(3-methylcyclobutyl)benzamide
CID 115671067
4-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60810345
3-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043634
N-(1-ethylpiperidin-3-yl)-2-hydroxy-4-methoxybenzamide
CID 61151217

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide?
The IUPAC name of 2-hydroxy-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide (CID 22064018) is 2-hydroxy-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide.
What is the SMILES notation for 2-hydroxy-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide?
The canonical SMILES for 2-hydroxy-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide is COc1ccc(C(=O)NC2COc3cccc(N4CCN(C)CC4)c3C2)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide?
The InChIKey is ZAIPRJSUOPTNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-24-8-10-25(11-9-24)19-4-3-5-21-18(19)12-15(14-29-21)23-22(27)17-7-6-16(28-2)13-20(17)26/h3-7,13,15,26H,8-12,14H2,1-2H3,(H,23,27).
What are the key properties of 2-hydroxy-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide?
2-hydroxy-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide has a molecular weight of 397.48 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide is sourced from PubChem (CID 22064018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).