2-methyl-3-(pyrrolidin-1-ylmethyl)-6,7-dihydroquinoline

C15H20N2 — CID 174196684

IUPAC2-methyl-3-(pyrrolidin-1-ylmethyl)-6,7-dihydroquinoline
SMILESCc1nc2c(cc1CN1CCCC1)=CCCC=2
InChIInChI=1S/C15H20N2/c1-12-14(11-17-8-4-5-9-17)10-13-6-2-3-7-15(13)16-12/h6-7,10H,2-5,8-9,11H2,1H3
InChIKeyKBYRJNMTJXCDBF-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.34
Rot. Bonds2

About 2-methyl-3-(pyrrolidin-1-ylmethyl)-6,7-dihydroquinoline

2-methyl-3-(pyrrolidin-1-ylmethyl)-6,7-dihydroquinoline (PubChem CID 174196684) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-methyl-3-(pyrrolidin-1-ylmethyl)-6,7-dihydroquinoline.

Molecular Properties

Compound Name2-methyl-3-(pyrrolidin-1-ylmethyl)-6,7-dihydroquinoline
PubChem CID174196684
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-methyl-3-(pyrrolidin-1-ylmethyl)-6,7-dihydroquinoline
SMILESCc1nc2c(cc1CN1CCCC1)=CCCC=2
InChIInChI=1S/C15H20N2/c1-12-14(11-17-8-4-5-9-17)10-13-6-2-3-7-15(13)16-12/h6-7,10H,2-5,8-9,11H2,1H3
InChIKeyKBYRJNMTJXCDBF-UHFFFAOYSA-N
XLogP1.34
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(pyrrolidin-1-ylmethyl)-6,7-dihydroquinoline?
The IUPAC name of 2-methyl-3-(pyrrolidin-1-ylmethyl)-6,7-dihydroquinoline (CID 174196684) is 2-methyl-3-(pyrrolidin-1-ylmethyl)-6,7-dihydroquinoline.
What is the SMILES notation for 2-methyl-3-(pyrrolidin-1-ylmethyl)-6,7-dihydroquinoline?
The canonical SMILES for 2-methyl-3-(pyrrolidin-1-ylmethyl)-6,7-dihydroquinoline is Cc1nc2c(cc1CN1CCCC1)=CCCC=2.
What is the InChIKey of 2-methyl-3-(pyrrolidin-1-ylmethyl)-6,7-dihydroquinoline?
The InChIKey is KBYRJNMTJXCDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12-14(11-17-8-4-5-9-17)10-13-6-2-3-7-15(13)16-12/h6-7,10H,2-5,8-9,11H2,1H3.
What are the key properties of 2-methyl-3-(pyrrolidin-1-ylmethyl)-6,7-dihydroquinoline?
2-methyl-3-(pyrrolidin-1-ylmethyl)-6,7-dihydroquinoline has a molecular weight of 228.34 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(pyrrolidin-1-ylmethyl)-6,7-dihydroquinoline is sourced from PubChem (CID 174196684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).