N-(1-hydroxy-2-methylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide

C21H24N2O5 — CID 23742174

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCOc1ccc(-n2c3c(cc(C(=O)NC(C)(C)CO)c2=O)C(=O)CCC3)cc1
InChIInChI=1S/C21H24N2O5/c1-21(2,12-24)22-19(26)16-11-15-17(5-4-6-18(15)25)23(20(16)27)13-7-9-14(28-3)10-8-13/h7-11,24H,4-6,12H2,1-3H3,(H,22,26)
InChIKeyGZWUKZJLYHYTQO-UHFFFAOYSA-N
MW384.43 g/mol
LogP1.87
Rot. Bonds5

About N-(1-hydroxy-2-methylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide (PubChem CID 23742174) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
PubChem CID23742174
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCOc1ccc(-n2c3c(cc(C(=O)NC(C)(C)CO)c2=O)C(=O)CCC3)cc1
InChIInChI=1S/C21H24N2O5/c1-21(2,12-24)22-19(26)16-11-15-17(5-4-6-18(15)25)23(20(16)27)13-7-9-14(28-3)10-8-13/h7-11,24H,4-6,12H2,1-3H3,(H,22,26)
InChIKeyGZWUKZJLYHYTQO-UHFFFAOYSA-N
XLogP1.87
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide (CID 23742174) is N-(1-hydroxy-2-methylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide is COc1ccc(-n2c3c(cc(C(=O)NC(C)(C)CO)c2=O)C(=O)CCC3)cc1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The InChIKey is GZWUKZJLYHYTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-21(2,12-24)22-19(26)16-11-15-17(5-4-6-18(15)25)23(20(16)27)13-7-9-14(28-3)10-8-13/h7-11,24H,4-6,12H2,1-3H3,(H,22,26).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide has a molecular weight of 384.43 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide is sourced from PubChem (CID 23742174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).