[2-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone

C25H30N6O — CID 92638584

IUPAC[2-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cc(C)nc(N2CC[C@@H](c3cc(C(=O)N4CCN(C)CC4)c4ccccc4n3)C2)n1
InChIInChI=1S/C25H30N6O/c1-17-14-18(2)27-25(26-17)31-9-8-19(16-31)23-15-21(20-6-4-5-7-22(20)28-23)24(32)30-12-10-29(3)11-13-30/h4-7,14-15,19H,8-13,16H2,1-3H3/t19-/m1/s1
InChIKeyFZIKYEYVTFMVFM-LJQANCHMSA-N
MW430.56 g/mol
LogP3.02
Rot. Bonds3

About [2-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone

[2-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 92638584) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is [2-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID92638584
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name[2-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cc(C)nc(N2CC[C@@H](c3cc(C(=O)N4CCN(C)CC4)c4ccccc4n3)C2)n1
InChIInChI=1S/C25H30N6O/c1-17-14-18(2)27-25(26-17)31-9-8-19(16-31)23-15-21(20-6-4-5-7-22(20)28-23)24(32)30-12-10-29(3)11-13-30/h4-7,14-15,19H,8-13,16H2,1-3H3/t19-/m1/s1
InChIKeyFZIKYEYVTFMVFM-LJQANCHMSA-N
XLogP3.02
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78794847
[2-[(3R)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 92638714
1-[(3S)-3-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 92636312
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
1-[3-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-propan-2-yloxyethanone
CID 110251561
1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 24698090
[(2S)-2-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]morpholin-4-yl]-pyridin-4-ylmethanone
CID 92638221
2-[(2S)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-N-methylquinoline-4-carboxamide
CID 92638338
(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119374525
[(2R)-2-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 92639213
N,N-dimethyl-2-[1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 110251599
2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 39488256

Frequently Asked Questions

What is the IUPAC name of [2-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 92638584) is [2-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone is Cc1cc(C)nc(N2CC[C@@H](c3cc(C(=O)N4CCN(C)CC4)c4ccccc4n3)C2)n1.
What is the InChIKey of [2-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is FZIKYEYVTFMVFM-LJQANCHMSA-N. The full InChI is InChI=1S/C25H30N6O/c1-17-14-18(2)27-25(26-17)31-9-8-19(16-31)23-15-21(20-6-4-5-7-22(20)28-23)24(32)30-12-10-29(3)11-13-30/h4-7,14-15,19H,8-13,16H2,1-3H3/t19-/m1/s1.
What are the key properties of [2-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone?
[2-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 430.56 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 92638584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).