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

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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).