2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide

C25H32N6O2 — CID 110251973

IUPAC2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCC(C)CNC(=O)c1cc(C2CN(Cc3cnc(N(C)C)nc3)CCO2)nc2ccccc12
InChIInChI=1S/C25H32N6O2/c1-17(2)12-26-24(32)20-11-22(29-21-8-6-5-7-19(20)21)23-16-31(9-10-33-23)15-18-13-27-25(28-14-18)30(3)4/h5-8,11,13-14,17,23H,9-10,12,15-16H2,1-4H3,(H,26,32)
InChIKeyOSKGEXXKIVULSZ-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.05
Rot. Bonds7

About 2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide

2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide (PubChem CID 110251973) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
PubChem CID110251973
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC Name2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCC(C)CNC(=O)c1cc(C2CN(Cc3cnc(N(C)C)nc3)CCO2)nc2ccccc12
InChIInChI=1S/C25H32N6O2/c1-17(2)12-26-24(32)20-11-22(29-21-8-6-5-7-19(20)21)23-16-31(9-10-33-23)15-18-13-27-25(28-14-18)30(3)4/h5-8,11,13-14,17,23H,9-10,12,15-16H2,1-4H3,(H,26,32)
InChIKeyOSKGEXXKIVULSZ-UHFFFAOYSA-N
XLogP3.05
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2R)-4-methylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638375
2-[(2R)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92639058
2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638905
2-[(2S)-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638995
2-[(2S)-4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638282
N-(2-methylpropyl)-2-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92639170
2-[4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 155983035
N,N-dimethyl-2-[4-[(2-propan-2-yloxyphenyl)methyl]morpholin-2-yl]quinoline-4-carboxamide
CID 110251738
2-[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92638417
N-propan-2-yl-2-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92638872
[2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]quinolin-4-yl]-morpholin-4-ylmethanone
CID 110251874
N,N-dimethyl-2-[(2R)-4-(quinolin-8-ylmethyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92638317

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide (CID 110251973) is 2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide is CC(C)CNC(=O)c1cc(C2CN(Cc3cnc(N(C)C)nc3)CCO2)nc2ccccc12.
What is the InChIKey of 2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide?
The InChIKey is OSKGEXXKIVULSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-17(2)12-26-24(32)20-11-22(29-21-8-6-5-7-19(20)21)23-16-31(9-10-33-23)15-18-13-27-25(28-14-18)30(3)4/h5-8,11,13-14,17,23H,9-10,12,15-16H2,1-4H3,(H,26,32).
What are the key properties of 2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide?
2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 110251973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).