3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-quinolin-6-ylbenzamide

C24H24N4O4 — CID 87454821

IUPAC3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-quinolin-6-ylbenzamide
SMILESCC(C)(C)c1cc(N2C(=O)CCNC2=O)cc(C(=O)Nc2ccc3ncccc3c2)c1O
InChIInChI=1S/C24H24N4O4/c1-24(2,3)18-13-16(28-20(29)8-10-26-23(28)32)12-17(21(18)30)22(31)27-15-6-7-19-14(11-15)5-4-9-25-19/h4-7,9,11-13,30H,8,10H2,1-3H3,(H,26,32)(H,27,31)
InChIKeyMUVQEIONPCQGKN-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.94
Rot. Bonds3

About 3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-quinolin-6-ylbenzamide

3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-quinolin-6-ylbenzamide (PubChem CID 87454821) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-quinolin-6-ylbenzamide.

Molecular Properties

Compound Name3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-quinolin-6-ylbenzamide
PubChem CID87454821
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-quinolin-6-ylbenzamide
SMILESCC(C)(C)c1cc(N2C(=O)CCNC2=O)cc(C(=O)Nc2ccc3ncccc3c2)c1O
InChIInChI=1S/C24H24N4O4/c1-24(2,3)18-13-16(28-20(29)8-10-26-23(28)32)12-17(21(18)30)22(31)27-15-6-7-19-14(11-15)5-4-9-25-19/h4-7,9,11-13,30H,8,10H2,1-3H3,(H,26,32)(H,27,31)
InChIKeyMUVQEIONPCQGKN-UHFFFAOYSA-N
XLogP3.94
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-[4-(methanesulfonamido)phenyl]benzamide
CID 87454774
N-quinolin-6-ylbenzamide
CID 833617
4-chloro-2-hydroxy-N-quinolin-6-ylbenzamide
CID 60783622
2-amino-2-methyl-N-quinolin-6-ylpropanamide
CID 62636163
2-methyl-N-quinolin-6-yl-5-sulfanylbenzamide
CID 107028520
2-(2-methoxyethoxy)-N-quinolin-6-ylpyridine-3-carboxamide
CID 60573798
3-chloro-N-quinolin-6-ylpyridine-4-carboxamide
CID 66484536
4-acetyl-N-quinolin-6-yl-1H-pyrrole-2-carboxamide
CID 60555786
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-N-quinolin-6-ylpyrrole-3-carboxamide
CID 60555223
5-methyl-6-oxo-1-phenyl-N-quinolin-6-yl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 60555015
4-amino-N-quinolin-6-yl-1H-pyrrole-2-carboxamide
CID 62634029
2-ethylsulfanyl-N-quinolin-6-ylbenzamide
CID 166190376

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-quinolin-6-ylbenzamide?
The IUPAC name of 3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-quinolin-6-ylbenzamide (CID 87454821) is 3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-quinolin-6-ylbenzamide.
What is the SMILES notation for 3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-quinolin-6-ylbenzamide?
The canonical SMILES for 3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-quinolin-6-ylbenzamide is CC(C)(C)c1cc(N2C(=O)CCNC2=O)cc(C(=O)Nc2ccc3ncccc3c2)c1O.
What is the InChIKey of 3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-quinolin-6-ylbenzamide?
The InChIKey is MUVQEIONPCQGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-24(2,3)18-13-16(28-20(29)8-10-26-23(28)32)12-17(21(18)30)22(31)27-15-6-7-19-14(11-15)5-4-9-25-19/h4-7,9,11-13,30H,8,10H2,1-3H3,(H,26,32)(H,27,31).
What are the key properties of 3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-quinolin-6-ylbenzamide?
3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-quinolin-6-ylbenzamide has a molecular weight of 432.48 g/mol, XLogP of 3.94, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(2,6-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-quinolin-6-ylbenzamide is sourced from PubChem (CID 87454821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).