N-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]-6-methoxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide

C26H31N5O5 — CID 91461379

IUPACN-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]-6-methoxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCOc1cc2c(c(N3CCN(C)CC3)c1)OC(C(=O)Nc1ccc(-n3c(O)cn(C)c3=O)cc1)CC2
InChIInChI=1S/C26H31N5O5/c1-28-10-12-30(13-11-28)21-15-20(35-3)14-17-4-9-22(36-24(17)21)25(33)27-18-5-7-19(8-6-18)31-23(32)16-29(2)26(31)34/h5-8,14-16,22,32H,4,9-13H2,1-3H3,(H,27,33)
InChIKeyCNUFEDCMLDGIDG-UHFFFAOYSA-N
MW493.56 g/mol
LogP1.97
Rot. Bonds5

About N-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]-6-methoxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide

N-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]-6-methoxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 91461379) has the molecular formula C26H31N5O5 and a molecular weight of 493.56 g/mol. Its IUPAC name is N-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]-6-methoxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]-6-methoxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID91461379
Molecular FormulaC26H31N5O5
Molecular Weight493.56 g/mol
Exact Mass493.23
IUPAC NameN-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]-6-methoxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCOc1cc2c(c(N3CCN(C)CC3)c1)OC(C(=O)Nc1ccc(-n3c(O)cn(C)c3=O)cc1)CC2
InChIInChI=1S/C26H31N5O5/c1-28-10-12-30(13-11-28)21-15-20(35-3)14-17-4-9-22(36-24(17)21)25(33)27-18-5-7-19(8-6-18)31-23(32)16-29(2)26(31)34/h5-8,14-16,22,32H,4,9-13H2,1-3H3,(H,27,33)
InChIKeyCNUFEDCMLDGIDG-UHFFFAOYSA-N
XLogP1.97
TPSA101.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(2R)-6-methoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 25067561
N-[4-[(1-amino-2-methoxyethyl)carbamoyl]phenyl]-6-methoxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 163937992
6-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 143452423
6-(1-hydroxyethyl)-8-(4-methylpiperazin-1-yl)-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 71193263
(2R)-8-(4-butylpiperazin-1-yl)-6-methoxy-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 124635880
methyl 6-methyl-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylate
CID 143452425
(2S)-6-methoxy-8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 129395920
6-hydroxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 143452452
6-(1-hydroxyethyl)-N-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 71193510
8-(4-ethylpiperazin-1-yl)-6-(1-hydroxyethyl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 71192334
6-(1-hydroxyethyl)-N-(4-morpholin-4-ylphenyl)-8-[4-(2,2,2-tricyanoethyl)piperazin-1-yl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 89357090
6-fluoro-N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 91390103

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]-6-methoxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of N-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]-6-methoxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide (CID 91461379) is N-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]-6-methoxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for N-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]-6-methoxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for N-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]-6-methoxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide is COc1cc2c(c(N3CCN(C)CC3)c1)OC(C(=O)Nc1ccc(-n3c(O)cn(C)c3=O)cc1)CC2.
What is the InChIKey of N-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]-6-methoxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is CNUFEDCMLDGIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O5/c1-28-10-12-30(13-11-28)21-15-20(35-3)14-17-4-9-22(36-24(17)21)25(33)27-18-5-7-19(8-6-18)31-23(32)16-29(2)26(31)34/h5-8,14-16,22,32H,4,9-13H2,1-3H3,(H,27,33).
What are the key properties of N-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]-6-methoxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide?
N-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]-6-methoxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 493.56 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]-6-methoxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 91461379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).