7-[(2-chloro-3-pyridinyl)methoxy]-4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinoline

C22H24ClN3O2 — CID 22641299

IUPAC7-[(2-chloro-3-pyridinyl)methoxy]-4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinoline
SMILESCOCC1CCCN1c1cc(C)nc2cc(OCc3cccnc3Cl)ccc12
InChIInChI=1S/C22H24ClN3O2/c1-15-11-21(26-10-4-6-17(26)14-27-2)19-8-7-18(12-20(19)25-15)28-13-16-5-3-9-24-22(16)23/h3,5,7-9,11-12,17H,4,6,10,13-14H2,1-2H3
InChIKeyKMROVFJWJQHRLB-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.79
Rot. Bonds6

About 7-[(2-chloro-3-pyridinyl)methoxy]-4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinoline

7-[(2-chloro-3-pyridinyl)methoxy]-4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinoline (PubChem CID 22641299) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 7-[(2-chloro-3-pyridinyl)methoxy]-4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinoline.

Molecular Properties

Compound Name7-[(2-chloro-3-pyridinyl)methoxy]-4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinoline
PubChem CID22641299
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name7-[(2-chloro-3-pyridinyl)methoxy]-4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinoline
SMILESCOCC1CCCN1c1cc(C)nc2cc(OCc3cccnc3Cl)ccc12
InChIInChI=1S/C22H24ClN3O2/c1-15-11-21(26-10-4-6-17(26)14-27-2)19-8-7-18(12-20(19)25-15)28-13-16-5-3-9-24-22(16)23/h3,5,7-9,11-12,17H,4,6,10,13-14H2,1-2H3
InChIKeyKMROVFJWJQHRLB-UHFFFAOYSA-N
XLogP4.79
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-chloro-3-pyridinyl)methoxy]-4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinoline?
The IUPAC name of 7-[(2-chloro-3-pyridinyl)methoxy]-4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinoline (CID 22641299) is 7-[(2-chloro-3-pyridinyl)methoxy]-4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinoline.
What is the SMILES notation for 7-[(2-chloro-3-pyridinyl)methoxy]-4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinoline?
The canonical SMILES for 7-[(2-chloro-3-pyridinyl)methoxy]-4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinoline is COCC1CCCN1c1cc(C)nc2cc(OCc3cccnc3Cl)ccc12.
What is the InChIKey of 7-[(2-chloro-3-pyridinyl)methoxy]-4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinoline?
The InChIKey is KMROVFJWJQHRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-15-11-21(26-10-4-6-17(26)14-27-2)19-8-7-18(12-20(19)25-15)28-13-16-5-3-9-24-22(16)23/h3,5,7-9,11-12,17H,4,6,10,13-14H2,1-2H3.
What are the key properties of 7-[(2-chloro-3-pyridinyl)methoxy]-4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinoline?
7-[(2-chloro-3-pyridinyl)methoxy]-4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinoline has a molecular weight of 397.91 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chloro-3-pyridinyl)methoxy]-4-[2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinoline is sourced from PubChem (CID 22641299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).