N-propan-2-yl-2-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide

C25H31N5O — CID 92638872

IUPACN-propan-2-yl-2-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cc([C@@H]2CCN(Cc3cnc(C(C)C)nc3)C2)nc2ccccc12
InChIInChI=1S/C25H31N5O/c1-16(2)24-26-12-18(13-27-24)14-30-10-9-19(15-30)23-11-21(25(31)28-17(3)4)20-7-5-6-8-22(20)29-23/h5-8,11-13,16-17,19H,9-10,14-15H2,1-4H3,(H,28,31)/t19-/m1/s1
InChIKeyMNJZWIBCTQCWHZ-LJQANCHMSA-N
MW417.56 g/mol
LogP4.28
Rot. Bonds6

About N-propan-2-yl-2-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide

N-propan-2-yl-2-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide (PubChem CID 92638872) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is N-propan-2-yl-2-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide
PubChem CID92638872
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC NameN-propan-2-yl-2-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cc([C@@H]2CCN(Cc3cnc(C(C)C)nc3)C2)nc2ccccc12
InChIInChI=1S/C25H31N5O/c1-16(2)24-26-12-18(13-27-24)14-30-10-9-19(15-30)23-11-21(25(31)28-17(3)4)20-7-5-6-8-22(20)29-23/h5-8,11-13,16-17,19H,9-10,14-15H2,1-4H3,(H,28,31)/t19-/m1/s1
InChIKeyMNJZWIBCTQCWHZ-LJQANCHMSA-N
XLogP4.28
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-propan-2-yl-2-[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 110251614
2-[(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92638819
2-[(3S)-1-[3-(4-methylpiperidin-1-yl)propanoyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92638645
2-[(3R)-1-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92637740
N-(2-methylpropyl)-2-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92639170
2-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 95813013
N-(2-methoxyethyl)-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92638776
(2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid
CID 119360414
2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 110251973
N-propan-2-yl-2-[(2S)-4-pyrimidin-2-ylmorpholin-2-yl]quinoline-4-carboxamide
CID 92638356
N-propan-2-yl-2-(4-pyrimidin-2-ylmorpholin-2-yl)quinoline-4-carboxamide
CID 110251927
2-[(3S)-1-[(1,3-diethyl-2-oxobenzimidazol-5-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92638817

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide?
The IUPAC name of N-propan-2-yl-2-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide (CID 92638872) is N-propan-2-yl-2-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide?
The canonical SMILES for N-propan-2-yl-2-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide is CC(C)NC(=O)c1cc([C@@H]2CCN(Cc3cnc(C(C)C)nc3)C2)nc2ccccc12.
What is the InChIKey of N-propan-2-yl-2-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide?
The InChIKey is MNJZWIBCTQCWHZ-LJQANCHMSA-N. The full InChI is InChI=1S/C25H31N5O/c1-16(2)24-26-12-18(13-27-24)14-30-10-9-19(15-30)23-11-21(25(31)28-17(3)4)20-7-5-6-8-22(20)29-23/h5-8,11-13,16-17,19H,9-10,14-15H2,1-4H3,(H,28,31)/t19-/m1/s1.
What are the key properties of N-propan-2-yl-2-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide?
N-propan-2-yl-2-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide has a molecular weight of 417.56 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide is sourced from PubChem (CID 92638872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).