2-[2-[[5-chloro-2-[(2-oxo-1H-quinolin-6-yl)amino]pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide

C23H19ClN6O3 — CID 134224381

IUPAC2-[2-[[5-chloro-2-[(2-oxo-1H-quinolin-6-yl)amino]pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)c1ccccc1Nc1nc(Nc2ccc3[nH]c(=O)ccc3c2)ncc1Cl
InChIInChI=1S/C23H19ClN6O3/c1-30(2)22(33)20(32)15-5-3-4-6-18(15)28-21-16(24)12-25-23(29-21)26-14-8-9-17-13(11-14)7-10-19(31)27-17/h3-12H,1-2H3,(H,27,31)(H2,25,26,28,29)
InChIKeyHHJGROGMFGQMMV-UHFFFAOYSA-N
MW462.90 g/mol
LogP3.73
Rot. Bonds6

About 2-[2-[[5-chloro-2-[(2-oxo-1H-quinolin-6-yl)amino]pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide

2-[2-[[5-chloro-2-[(2-oxo-1H-quinolin-6-yl)amino]pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 134224381) has the molecular formula C23H19ClN6O3 and a molecular weight of 462.90 g/mol. Its IUPAC name is 2-[2-[[5-chloro-2-[(2-oxo-1H-quinolin-6-yl)amino]pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-[[5-chloro-2-[(2-oxo-1H-quinolin-6-yl)amino]pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide
PubChem CID134224381
Molecular FormulaC23H19ClN6O3
Molecular Weight462.90 g/mol
Exact Mass462.12
IUPAC Name2-[2-[[5-chloro-2-[(2-oxo-1H-quinolin-6-yl)amino]pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)c1ccccc1Nc1nc(Nc2ccc3[nH]c(=O)ccc3c2)ncc1Cl
InChIInChI=1S/C23H19ClN6O3/c1-30(2)22(33)20(32)15-5-3-4-6-18(15)28-21-16(24)12-25-23(29-21)26-14-8-9-17-13(11-14)7-10-19(31)27-17/h3-12H,1-2H3,(H,27,31)(H2,25,26,28,29)
InChIKeyHHJGROGMFGQMMV-UHFFFAOYSA-N
XLogP3.73
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.90
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[5-chloro-2-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide
CID 134224346
N-[5-[[5-chloro-4-[2-[2-(dimethylamino)-2-oxoacetyl]anilino]pyrimidin-2-yl]amino]-2-cyclopropyloxyphenyl]prop-2-enamide
CID 87055677
2-[[5-chloro-2-[[2-(pyrrolidin-1-ylmethyl)-3H-benzimidazol-5-yl]amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide
CID 154640722
2-[[5-chloro-2-[[2-[(4-methylpiperazin-1-yl)methyl]-3H-benzimidazol-5-yl]amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide
CID 154640739
2-[[2-(4-carboxyanilino)-5-chloropyrimidin-4-yl]amino]benzoic acid
CID 70702131
2-[2-[[5-chloro-2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide
CID 87055760
N-[5-[[5-chloro-4-[2-[2-(dimethylamino)-2-oxoacetyl]anilino]pyrimidin-2-yl]amino]-4-fluoro-2-methoxyphenyl]prop-2-enamide
CID 87055269
N,N-dimethyl-2-oxo-2-[2-[[2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 134224388
N-[5-[[4-[2-[2-(dimethylamino)-2-oxoacetyl]anilino]-5-methylpyrimidin-2-yl]amino]-2-methoxyphenyl]prop-2-enamide
CID 87055766
2-[[5-chloro-2-[(3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)amino]pyrimidin-4-yl]amino]-N-methylbenzamide
CID 25158228
2-[[5-chloro-2-[(4-oxo-2,3,5,6-tetrahydro-1H-1,5-benzodiazocin-8-yl)amino]pyrimidin-4-yl]amino]-N-methylbenzamide
CID 66830178
2-[[5-chloro-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-8-yl)amino]pyrimidin-4-yl]amino]-N-methylbenzamide
CID 66829999

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-chloro-2-[(2-oxo-1H-quinolin-6-yl)amino]pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide?
The IUPAC name of 2-[2-[[5-chloro-2-[(2-oxo-1H-quinolin-6-yl)amino]pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide (CID 134224381) is 2-[2-[[5-chloro-2-[(2-oxo-1H-quinolin-6-yl)amino]pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide.
What is the SMILES notation for 2-[2-[[5-chloro-2-[(2-oxo-1H-quinolin-6-yl)amino]pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide?
The canonical SMILES for 2-[2-[[5-chloro-2-[(2-oxo-1H-quinolin-6-yl)amino]pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide is CN(C)C(=O)C(=O)c1ccccc1Nc1nc(Nc2ccc3[nH]c(=O)ccc3c2)ncc1Cl.
What is the InChIKey of 2-[2-[[5-chloro-2-[(2-oxo-1H-quinolin-6-yl)amino]pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide?
The InChIKey is HHJGROGMFGQMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN6O3/c1-30(2)22(33)20(32)15-5-3-4-6-18(15)28-21-16(24)12-25-23(29-21)26-14-8-9-17-13(11-14)7-10-19(31)27-17/h3-12H,1-2H3,(H,27,31)(H2,25,26,28,29).
What are the key properties of 2-[2-[[5-chloro-2-[(2-oxo-1H-quinolin-6-yl)amino]pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide?
2-[2-[[5-chloro-2-[(2-oxo-1H-quinolin-6-yl)amino]pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 462.90 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-chloro-2-[(2-oxo-1H-quinolin-6-yl)amino]pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 134224381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).