2-methyl-7-[(2-methyl-3-pyridinyl)methoxy]-4-pyrrolidin-1-ylquinoline;hydrochloride

C21H24ClN3O — CID 22641473

IUPAC2-methyl-7-[(2-methyl-3-pyridinyl)methoxy]-4-pyrrolidin-1-ylquinoline;hydrochloride
SMILESCc1cc(N2CCCC2)c2ccc(OCc3cccnc3C)cc2n1.Cl
InChIInChI=1S/C21H23N3O.ClH/c1-15-12-21(24-10-3-4-11-24)19-8-7-18(13-20(19)23-15)25-14-17-6-5-9-22-16(17)2;/h5-9,12-13H,3-4,10-11,14H2,1-2H3;1H
InChIKeySBCXTVACJOCLJH-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.85
Rot. Bonds4

About 2-methyl-7-[(2-methyl-3-pyridinyl)methoxy]-4-pyrrolidin-1-ylquinoline;hydrochloride

2-methyl-7-[(2-methyl-3-pyridinyl)methoxy]-4-pyrrolidin-1-ylquinoline;hydrochloride (PubChem CID 22641473) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 2-methyl-7-[(2-methyl-3-pyridinyl)methoxy]-4-pyrrolidin-1-ylquinoline;hydrochloride.

Molecular Properties

Compound Name2-methyl-7-[(2-methyl-3-pyridinyl)methoxy]-4-pyrrolidin-1-ylquinoline;hydrochloride
PubChem CID22641473
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name2-methyl-7-[(2-methyl-3-pyridinyl)methoxy]-4-pyrrolidin-1-ylquinoline;hydrochloride
SMILESCc1cc(N2CCCC2)c2ccc(OCc3cccnc3C)cc2n1.Cl
InChIInChI=1S/C21H23N3O.ClH/c1-15-12-21(24-10-3-4-11-24)19-8-7-18(13-20(19)23-15)25-14-17-6-5-9-22-16(17)2;/h5-9,12-13H,3-4,10-11,14H2,1-2H3;1H
InChIKeySBCXTVACJOCLJH-UHFFFAOYSA-N
XLogP4.85
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[(2-methyl-3-pyridinyl)methoxy]-4-pyrrolidin-1-ylquinoline;hydrochloride?
The IUPAC name of 2-methyl-7-[(2-methyl-3-pyridinyl)methoxy]-4-pyrrolidin-1-ylquinoline;hydrochloride (CID 22641473) is 2-methyl-7-[(2-methyl-3-pyridinyl)methoxy]-4-pyrrolidin-1-ylquinoline;hydrochloride.
What is the SMILES notation for 2-methyl-7-[(2-methyl-3-pyridinyl)methoxy]-4-pyrrolidin-1-ylquinoline;hydrochloride?
The canonical SMILES for 2-methyl-7-[(2-methyl-3-pyridinyl)methoxy]-4-pyrrolidin-1-ylquinoline;hydrochloride is Cc1cc(N2CCCC2)c2ccc(OCc3cccnc3C)cc2n1.Cl.
What is the InChIKey of 2-methyl-7-[(2-methyl-3-pyridinyl)methoxy]-4-pyrrolidin-1-ylquinoline;hydrochloride?
The InChIKey is SBCXTVACJOCLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O.ClH/c1-15-12-21(24-10-3-4-11-24)19-8-7-18(13-20(19)23-15)25-14-17-6-5-9-22-16(17)2;/h5-9,12-13H,3-4,10-11,14H2,1-2H3;1H.
What are the key properties of 2-methyl-7-[(2-methyl-3-pyridinyl)methoxy]-4-pyrrolidin-1-ylquinoline;hydrochloride?
2-methyl-7-[(2-methyl-3-pyridinyl)methoxy]-4-pyrrolidin-1-ylquinoline;hydrochloride has a molecular weight of 369.90 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[(2-methyl-3-pyridinyl)methoxy]-4-pyrrolidin-1-ylquinoline;hydrochloride is sourced from PubChem (CID 22641473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).