N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylquinoline-8-carboxamide

C25H30N6O2 — CID 92619250

IUPACN-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylquinoline-8-carboxamide
SMILESCC(C)N1C[C@H](c2cc(N(C)C)nc(CN(C)C(=O)c3cccc4cccnc34)n2)CC1=O
InChIInChI=1S/C25H30N6O2/c1-16(2)31-14-18(12-23(31)32)20-13-22(29(3)4)28-21(27-20)15-30(5)25(33)19-10-6-8-17-9-7-11-26-24(17)19/h6-11,13,16,18H,12,14-15H2,1-5H3/t18-/m1/s1
InChIKeyYQQQYPSLICKDNN-GOSISDBHSA-N
MW446.56 g/mol
LogP3.09
Rot. Bonds6

About N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylquinoline-8-carboxamide

N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylquinoline-8-carboxamide (PubChem CID 92619250) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylquinoline-8-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylquinoline-8-carboxamide
PubChem CID92619250
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC NameN-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylquinoline-8-carboxamide
SMILESCC(C)N1C[C@H](c2cc(N(C)C)nc(CN(C)C(=O)c3cccc4cccnc34)n2)CC1=O
InChIInChI=1S/C25H30N6O2/c1-16(2)31-14-18(12-23(31)32)20-13-22(29(3)4)28-21(27-20)15-30(5)25(33)19-10-6-8-17-9-7-11-26-24(17)19/h6-11,13,16,18H,12,14-15H2,1-5H3/t18-/m1/s1
InChIKeyYQQQYPSLICKDNN-GOSISDBHSA-N
XLogP3.09
TPSA82.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylquinoline-8-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[4-(dimethylamino)-6-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrimidin-2-yl]methyl]-N-methylquinoline-5-carboxamide
CID 110250855
N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 92621066
N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N,4-dimethylbenzenesulfonamide
CID 92621043
N-methyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-8-carboxamide
CID 9205470
N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide
CID 39948382
N-[[4-(dimethylamino)-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide
CID 95812334
1-benzyl-N-[[4-(dimethylamino)-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylazetidine-3-carboxamide
CID 95812332
N-[[4-(dimethylamino)-6-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylbenzamide
CID 110250823
N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide
CID 115673293
N-[[4-(dimethylamino)-6-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N,6-dimethylpyridine-3-carboxamide
CID 95830244
N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]quinoline-8-carboxamide
CID 92624440
N-[[4-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-(dimethylamino)pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide
CID 124977047

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylquinoline-8-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylquinoline-8-carboxamide (CID 92619250) is N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylquinoline-8-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylquinoline-8-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylquinoline-8-carboxamide is CC(C)N1C[C@H](c2cc(N(C)C)nc(CN(C)C(=O)c3cccc4cccnc34)n2)CC1=O.
What is the InChIKey of N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylquinoline-8-carboxamide?
The InChIKey is YQQQYPSLICKDNN-GOSISDBHSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-16(2)31-14-18(12-23(31)32)20-13-22(29(3)4)28-21(27-20)15-30(5)25(33)19-10-6-8-17-9-7-11-26-24(17)19/h6-11,13,16,18H,12,14-15H2,1-5H3/t18-/m1/s1.
What are the key properties of N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylquinoline-8-carboxamide?
N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylquinoline-8-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylquinoline-8-carboxamide is sourced from PubChem (CID 92619250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).