3-(5-cyclopropyl-2-piperazin-1-ylpyrimidin-4-yl)quinoline

C20H21N5 — CID 170692341

IUPAC3-(5-cyclopropyl-2-piperazin-1-ylpyrimidin-4-yl)quinoline
SMILESc1ccc2ncc(-c3nc(N4CCNCC4)ncc3C3CC3)cc2c1
InChIInChI=1S/C20H21N5/c1-2-4-18-15(3-1)11-16(12-22-18)19-17(14-5-6-14)13-23-20(24-19)25-9-7-21-8-10-25/h1-4,11-14,21H,5-10H2
InChIKeyGVDGNYUHTFASKH-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.98
Rot. Bonds3

About 3-(5-cyclopropyl-2-piperazin-1-ylpyrimidin-4-yl)quinoline

3-(5-cyclopropyl-2-piperazin-1-ylpyrimidin-4-yl)quinoline (PubChem CID 170692341) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-(5-cyclopropyl-2-piperazin-1-ylpyrimidin-4-yl)quinoline.

Molecular Properties

Compound Name3-(5-cyclopropyl-2-piperazin-1-ylpyrimidin-4-yl)quinoline
PubChem CID170692341
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name3-(5-cyclopropyl-2-piperazin-1-ylpyrimidin-4-yl)quinoline
SMILESc1ccc2ncc(-c3nc(N4CCNCC4)ncc3C3CC3)cc2c1
InChIInChI=1S/C20H21N5/c1-2-4-18-15(3-1)11-16(12-22-18)19-17(14-5-6-14)13-23-20(24-19)25-9-7-21-8-10-25/h1-4,11-14,21H,5-10H2
InChIKeyGVDGNYUHTFASKH-UHFFFAOYSA-N
XLogP2.98
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-piperazin-1-ylquinoline;dihydrochloride
CID 54593446
3-(6-piperazin-1-ylpyrimidin-4-yl)quinoline
CID 170692346
3-[6-(furan-2-yl)-2-piperazin-1-ylpyrimidin-4-yl]quinoline
CID 171729518
3-(6-cyclohexa-2,4-dien-1-yloxy-2-piperazin-1-ylpyrimidin-4-yl)quinoline
CID 174183154
5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinolin-3-ylpyrimidin-2-amine
CID 172786362
8-cyclopropyl-6-phenyl-2-piperazin-1-ylpteridin-7-one
CID 3232697
2-(3-methylpiperazin-1-yl)-5-phenylpyrimidine
CID 116976426
3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)quinoline
CID 80971058
N-benzyl-2-[(5-cyclopropyl-2-piperazin-1-ylpyrimidin-4-yl)amino]ethanesulfonamide;trihydrochloride
CID 53258484
4-(3-chlorophenyl)-5-methyl-2-piperazin-1-ylpyrimidine
CID 103278343
3-[(2S)-azetidin-2-yl]quinoline
CID 55278758
5-(4-fluorophenyl)-2-piperazin-1-ylpyrimidine;hydrochloride
CID 135146269

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-2-piperazin-1-ylpyrimidin-4-yl)quinoline?
The IUPAC name of 3-(5-cyclopropyl-2-piperazin-1-ylpyrimidin-4-yl)quinoline (CID 170692341) is 3-(5-cyclopropyl-2-piperazin-1-ylpyrimidin-4-yl)quinoline.
What is the SMILES notation for 3-(5-cyclopropyl-2-piperazin-1-ylpyrimidin-4-yl)quinoline?
The canonical SMILES for 3-(5-cyclopropyl-2-piperazin-1-ylpyrimidin-4-yl)quinoline is c1ccc2ncc(-c3nc(N4CCNCC4)ncc3C3CC3)cc2c1.
What is the InChIKey of 3-(5-cyclopropyl-2-piperazin-1-ylpyrimidin-4-yl)quinoline?
The InChIKey is GVDGNYUHTFASKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-2-4-18-15(3-1)11-16(12-22-18)19-17(14-5-6-14)13-23-20(24-19)25-9-7-21-8-10-25/h1-4,11-14,21H,5-10H2.
What are the key properties of 3-(5-cyclopropyl-2-piperazin-1-ylpyrimidin-4-yl)quinoline?
3-(5-cyclopropyl-2-piperazin-1-ylpyrimidin-4-yl)quinoline has a molecular weight of 331.42 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-2-piperazin-1-ylpyrimidin-4-yl)quinoline is sourced from PubChem (CID 170692341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).