9-(4-pyrimidin-2-ylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline

C20H21N5 — CID 110433935

IUPAC9-(4-pyrimidin-2-ylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline
SMILESc1cnc(N2CCN(c3c4c(nc5ccccc35)CCC4)CC2)nc1
InChIInChI=1S/C20H21N5/c1-2-7-17-15(5-1)19(16-6-3-8-18(16)23-17)24-11-13-25(14-12-24)20-21-9-4-10-22-20/h1-2,4-5,7,9-10H,3,6,8,11-14H2
InChIKeyMMVJOJQZVCGHFK-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.84
Rot. Bonds2

About 9-(4-pyrimidin-2-ylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline

9-(4-pyrimidin-2-ylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline (PubChem CID 110433935) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 9-(4-pyrimidin-2-ylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline.

Molecular Properties

Compound Name9-(4-pyrimidin-2-ylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline
PubChem CID110433935
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name9-(4-pyrimidin-2-ylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline
SMILESc1cnc(N2CCN(c3c4c(nc5ccccc35)CCC4)CC2)nc1
InChIInChI=1S/C20H21N5/c1-2-7-17-15(5-1)19(16-6-3-8-18(16)23-17)24-11-13-25(14-12-24)20-21-9-4-10-22-20/h1-2,4-5,7,9-10H,3,6,8,11-14H2
InChIKeyMMVJOJQZVCGHFK-UHFFFAOYSA-N
XLogP2.84
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(4-pyrimidin-2-ylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline with MolForge

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Related Compounds

[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 8575126
9-(bromomethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 82449852
N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
CID 52996241
(9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 126457296
9-iodo-1,2,3,4-tetrahydroacridine
CID 628104
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile
CID 82449837
1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide
CID 89284205
1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447
2-(3-chlorothiophen-2-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline
CID 91964555
2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 7033665
2-propyl-4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)quinoline
CID 133401235
N-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110435252

Frequently Asked Questions

What is the IUPAC name of 9-(4-pyrimidin-2-ylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline?
The IUPAC name of 9-(4-pyrimidin-2-ylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline (CID 110433935) is 9-(4-pyrimidin-2-ylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline.
What is the SMILES notation for 9-(4-pyrimidin-2-ylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline?
The canonical SMILES for 9-(4-pyrimidin-2-ylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline is c1cnc(N2CCN(c3c4c(nc5ccccc35)CCC4)CC2)nc1.
What is the InChIKey of 9-(4-pyrimidin-2-ylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline?
The InChIKey is MMVJOJQZVCGHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-2-7-17-15(5-1)19(16-6-3-8-18(16)23-17)24-11-13-25(14-12-24)20-21-9-4-10-22-20/h1-2,4-5,7,9-10H,3,6,8,11-14H2.
What are the key properties of 9-(4-pyrimidin-2-ylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline?
9-(4-pyrimidin-2-ylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline has a molecular weight of 331.42 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-pyrimidin-2-ylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline is sourced from PubChem (CID 110433935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).