2-[6-(azetidin-3-yl)-3-pyridinyl]-4-chloro-7-methyl-1,2-dihydroquinoline;ethane

C22H30ClN3 — CID 177172580

IUPAC2-[6-(azetidin-3-yl)-3-pyridinyl]-4-chloro-7-methyl-1,2-dihydroquinoline;ethane
SMILESCC.CC.Cc1ccc2c(c1)NC(c1ccc(C3CNC3)nc1)C=C2Cl
InChIInChI=1S/C18H18ClN3.2C2H6/c1-11-2-4-14-15(19)7-17(22-18(14)6-11)12-3-5-16(21-10-12)13-8-20-9-13;2*1-2/h2-7,10,13,17,20,22H,8-9H2,1H3;2*1-2H3
InChIKeyPFUABNQXESHYPV-UHFFFAOYSA-N
MW371.96 g/mol
LogP5.88
Rot. Bonds2

About 2-[6-(azetidin-3-yl)-3-pyridinyl]-4-chloro-7-methyl-1,2-dihydroquinoline;ethane

2-[6-(azetidin-3-yl)-3-pyridinyl]-4-chloro-7-methyl-1,2-dihydroquinoline;ethane (PubChem CID 177172580) has the molecular formula C22H30ClN3 and a molecular weight of 371.96 g/mol. Its IUPAC name is 2-[6-(azetidin-3-yl)-3-pyridinyl]-4-chloro-7-methyl-1,2-dihydroquinoline;ethane.

Molecular Properties

Compound Name2-[6-(azetidin-3-yl)-3-pyridinyl]-4-chloro-7-methyl-1,2-dihydroquinoline;ethane
PubChem CID177172580
Molecular FormulaC22H30ClN3
Molecular Weight371.96 g/mol
Exact Mass371.21
IUPAC Name2-[6-(azetidin-3-yl)-3-pyridinyl]-4-chloro-7-methyl-1,2-dihydroquinoline;ethane
SMILESCC.CC.Cc1ccc2c(c1)NC(c1ccc(C3CNC3)nc1)C=C2Cl
InChIInChI=1S/C18H18ClN3.2C2H6/c1-11-2-4-14-15(19)7-17(22-18(14)6-11)12-3-5-16(21-10-12)13-8-20-9-13;2*1-2/h2-7,10,13,17,20,22H,8-9H2,1H3;2*1-2H3
InChIKeyPFUABNQXESHYPV-UHFFFAOYSA-N
XLogP5.88
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.96
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(azetidin-3-yl)-3-pyridinyl]-4-chloro-7-methyl-1,2-dihydroquinoline;ethane?
The IUPAC name of 2-[6-(azetidin-3-yl)-3-pyridinyl]-4-chloro-7-methyl-1,2-dihydroquinoline;ethane (CID 177172580) is 2-[6-(azetidin-3-yl)-3-pyridinyl]-4-chloro-7-methyl-1,2-dihydroquinoline;ethane.
What is the SMILES notation for 2-[6-(azetidin-3-yl)-3-pyridinyl]-4-chloro-7-methyl-1,2-dihydroquinoline;ethane?
The canonical SMILES for 2-[6-(azetidin-3-yl)-3-pyridinyl]-4-chloro-7-methyl-1,2-dihydroquinoline;ethane is CC.CC.Cc1ccc2c(c1)NC(c1ccc(C3CNC3)nc1)C=C2Cl.
What is the InChIKey of 2-[6-(azetidin-3-yl)-3-pyridinyl]-4-chloro-7-methyl-1,2-dihydroquinoline;ethane?
The InChIKey is PFUABNQXESHYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3.2C2H6/c1-11-2-4-14-15(19)7-17(22-18(14)6-11)12-3-5-16(21-10-12)13-8-20-9-13;2*1-2/h2-7,10,13,17,20,22H,8-9H2,1H3;2*1-2H3.
What are the key properties of 2-[6-(azetidin-3-yl)-3-pyridinyl]-4-chloro-7-methyl-1,2-dihydroquinoline;ethane?
2-[6-(azetidin-3-yl)-3-pyridinyl]-4-chloro-7-methyl-1,2-dihydroquinoline;ethane has a molecular weight of 371.96 g/mol, XLogP of 5.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(azetidin-3-yl)-3-pyridinyl]-4-chloro-7-methyl-1,2-dihydroquinoline;ethane is sourced from PubChem (CID 177172580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).