1'-(6-chloroquinolin-4-yl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

C21H21ClN4 — CID 163315465

IUPAC1'-(6-chloroquinolin-4-yl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
SMILESCc1ncc2c(n1)C1(CCCN(c3ccnc4ccc(Cl)cc34)C1)CC2
InChIInChI=1S/C21H21ClN4/c1-14-24-12-15-5-8-21(20(15)25-14)7-2-10-26(13-21)19-6-9-23-18-4-3-16(22)11-17(18)19/h3-4,6,9,11-12H,2,5,7-8,10,13H2,1H3
InChIKeyHLBNSWADSLWMDP-UHFFFAOYSA-N
MW364.88 g/mol
LogP4.47
Rot. Bonds1

About 1'-(6-chloroquinolin-4-yl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

1'-(6-chloroquinolin-4-yl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] (PubChem CID 163315465) has the molecular formula C21H21ClN4 and a molecular weight of 364.88 g/mol. Its IUPAC name is 1'-(6-chloroquinolin-4-yl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine].

Molecular Properties

Compound Name1'-(6-chloroquinolin-4-yl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
PubChem CID163315465
Molecular FormulaC21H21ClN4
Molecular Weight364.88 g/mol
Exact Mass364.15
IUPAC Name1'-(6-chloroquinolin-4-yl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
SMILESCc1ncc2c(n1)C1(CCCN(c3ccnc4ccc(Cl)cc34)C1)CC2
InChIInChI=1S/C21H21ClN4/c1-14-24-12-15-5-8-21(20(15)25-14)7-2-10-26(13-21)19-6-9-23-18-4-3-16(22)11-17(18)19/h3-4,6,9,11-12H,2,5,7-8,10,13H2,1H3
InChIKeyHLBNSWADSLWMDP-UHFFFAOYSA-N
XLogP4.47
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(6-chloroquinolin-4-yl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
The IUPAC name of 1'-(6-chloroquinolin-4-yl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] (CID 163315465) is 1'-(6-chloroquinolin-4-yl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine].
What is the SMILES notation for 1'-(6-chloroquinolin-4-yl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
The canonical SMILES for 1'-(6-chloroquinolin-4-yl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] is Cc1ncc2c(n1)C1(CCCN(c3ccnc4ccc(Cl)cc34)C1)CC2.
What is the InChIKey of 1'-(6-chloroquinolin-4-yl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
The InChIKey is HLBNSWADSLWMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4/c1-14-24-12-15-5-8-21(20(15)25-14)7-2-10-26(13-21)19-6-9-23-18-4-3-16(22)11-17(18)19/h3-4,6,9,11-12H,2,5,7-8,10,13H2,1H3.
What are the key properties of 1'-(6-chloroquinolin-4-yl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
1'-(6-chloroquinolin-4-yl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] has a molecular weight of 364.88 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(6-chloroquinolin-4-yl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] is sourced from PubChem (CID 163315465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).