4-[(4-cycloheptyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide

C30H41N5O2 — CID 123268592

IUPAC4-[(4-cycloheptyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCC1C(=O)N(C)c2ccc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3)cc2N1C1CCCCCC1
InChIInChI=1S/C30H41N5O2/c1-21-30(37)34(3)27-15-14-25(20-28(27)35(21)26-8-6-4-5-7-9-26)31-23-12-10-22(11-13-23)29(36)32-24-16-18-33(2)19-17-24/h10-15,20-21,24,26,31H,4-9,16-19H2,1-3H3,(H,32,36)
InChIKeyCLQQNWBLAJIFTH-UHFFFAOYSA-N
MW503.69 g/mol
LogP5.15
Rot. Bonds5

About 4-[(4-cycloheptyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide

4-[(4-cycloheptyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 123268592) has the molecular formula C30H41N5O2 and a molecular weight of 503.69 g/mol. Its IUPAC name is 4-[(4-cycloheptyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[(4-cycloheptyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID123268592
Molecular FormulaC30H41N5O2
Molecular Weight503.69 g/mol
Exact Mass503.33
IUPAC Name4-[(4-cycloheptyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCC1C(=O)N(C)c2ccc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3)cc2N1C1CCCCCC1
InChIInChI=1S/C30H41N5O2/c1-21-30(37)34(3)27-15-14-25(20-28(27)35(21)26-8-6-4-5-7-9-26)31-23-12-10-22(11-13-23)29(36)32-24-16-18-33(2)19-17-24/h10-15,20-21,24,26,31H,4-9,16-19H2,1-3H3,(H,32,36)
InChIKeyCLQQNWBLAJIFTH-UHFFFAOYSA-N
XLogP5.15
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.69
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(4-cycloheptyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide with MolForge

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Related Compounds

3-chloro-4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 11466391
4-[(4-cyclohexyl-1,3-dimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)amino]-N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]benzamide
CID 123652394
3-[[(3R)-1,3-dimethyl-2-oxo-4-piperidin-2-yl-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 121412327
N-cyclohexyl-4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]benzamide
CID 163503299
4-cyclopropyl-1,3-dimethyl-2-oxo-N-phenyl-3H-quinoxaline-6-carboxamide
CID 142296605
(3R)-6-[4-(1,1-dihydroxy-1λ4-thia-6-azaspiro[3.3]heptane-6-carbonyl)anilino]-1,3-dimethyl-4-(oxan-4-yl)-3H-quinoxalin-2-one
CID 118538604
4-acetamido-N-(1-methylpiperidin-4-yl)benzamide
CID 47114509
4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-fluoro-N-(1-methylpiperidin-4-yl)benzamide
CID 122187524
6-bromo-4-cyclobutyl-1,3-dimethyl-3H-quinoxalin-2-one
CID 175371087
[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]boronic acid
CID 140843225
N-cycloheptyl-1-methyl-2-oxo-3H-indole-5-carboxamide
CID 52986175
(3R)-4-cyclohexyl-1,3-dimethyl-6-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]-3H-pyrido[2,3-b]pyrazin-2-one
CID 90242235

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cycloheptyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[(4-cycloheptyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide (CID 123268592) is 4-[(4-cycloheptyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[(4-cycloheptyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[(4-cycloheptyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide is CC1C(=O)N(C)c2ccc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3)cc2N1C1CCCCCC1.
What is the InChIKey of 4-[(4-cycloheptyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is CLQQNWBLAJIFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N5O2/c1-21-30(37)34(3)27-15-14-25(20-28(27)35(21)26-8-6-4-5-7-9-26)31-23-12-10-22(11-13-23)29(36)32-24-16-18-33(2)19-17-24/h10-15,20-21,24,26,31H,4-9,16-19H2,1-3H3,(H,32,36).
What are the key properties of 4-[(4-cycloheptyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide?
4-[(4-cycloheptyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 503.69 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cycloheptyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 123268592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).