4-[2-[5-[2-(5-chloro-2-pyridinyl)ethyl]-1,3-dioxan-2-yl]ethyl]-6-methoxyquinoline

C23H25ClN2O3 — CID 158901207

IUPAC4-[2-[5-[2-(5-chloro-2-pyridinyl)ethyl]-1,3-dioxan-2-yl]ethyl]-6-methoxyquinoline
SMILESCOc1ccc2nccc(CCC3OCC(CCc4ccc(Cl)cn4)CO3)c2c1
InChIInChI=1S/C23H25ClN2O3/c1-27-20-7-8-22-21(12-20)17(10-11-25-22)3-9-23-28-14-16(15-29-23)2-5-19-6-4-18(24)13-26-19/h4,6-8,10-13,16,23H,2-3,5,9,14-15H2,1H3
InChIKeyJFLVZSVGBCQKHG-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.85
Rot. Bonds7

About 4-[2-[5-[2-(5-chloro-2-pyridinyl)ethyl]-1,3-dioxan-2-yl]ethyl]-6-methoxyquinoline

4-[2-[5-[2-(5-chloro-2-pyridinyl)ethyl]-1,3-dioxan-2-yl]ethyl]-6-methoxyquinoline (PubChem CID 158901207) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is 4-[2-[5-[2-(5-chloro-2-pyridinyl)ethyl]-1,3-dioxan-2-yl]ethyl]-6-methoxyquinoline.

Molecular Properties

Compound Name4-[2-[5-[2-(5-chloro-2-pyridinyl)ethyl]-1,3-dioxan-2-yl]ethyl]-6-methoxyquinoline
PubChem CID158901207
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC Name4-[2-[5-[2-(5-chloro-2-pyridinyl)ethyl]-1,3-dioxan-2-yl]ethyl]-6-methoxyquinoline
SMILESCOc1ccc2nccc(CCC3OCC(CCc4ccc(Cl)cn4)CO3)c2c1
InChIInChI=1S/C23H25ClN2O3/c1-27-20-7-8-22-21(12-20)17(10-11-25-22)3-9-23-28-14-16(15-29-23)2-5-19-6-4-18(24)13-26-19/h4,6-8,10-13,16,23H,2-3,5,9,14-15H2,1H3
InChIKeyJFLVZSVGBCQKHG-UHFFFAOYSA-N
XLogP4.85
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-[5-[2-(5-chloro-2-pyridinyl)ethyl]-1,3-dioxan-2-yl]ethyl]-6-methoxyquinoline with MolForge

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Related Compounds

6-methoxy-4-[2-[5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxan-2-yl]ethyl]quinoline
CID 158688019
N-[(4-fluorophenyl)methyl]-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-amine
CID 146503197
N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-4-methylbenzamide
CID 162655667
3-(6-methoxyquinolin-4-yl)propanal
CID 10751165
N-[2-(4-chlorophenyl)ethyl]-6-methoxyquinolin-4-amine
CID 70112929
6-methoxy-4-(3-piperidin-3-ylpropyl)quinoline
CID 12799878
4-(2-isocyanatoethyl)-6-methoxyquinoline
CID 121004004
4-[3-[1-(cyclohexylmethyl)piperidin-4-yl]propyl]-6-methoxyquinoline
CID 141033582
N-[2-(6-methoxyquinolin-4-yl)ethyl]cyclopropanecarboxamide
CID 19709964
6-[2-(8-fluoro-6-methoxyquinolin-4-yl)ethyl]oxan-3-amine
CID 69468239
ethyl 3-(6-methoxyquinolin-4-yl)propanoate
CID 66736782
2-[(3R,4R)-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]acetic acid
CID 21347710

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-[2-(5-chloro-2-pyridinyl)ethyl]-1,3-dioxan-2-yl]ethyl]-6-methoxyquinoline?
The IUPAC name of 4-[2-[5-[2-(5-chloro-2-pyridinyl)ethyl]-1,3-dioxan-2-yl]ethyl]-6-methoxyquinoline (CID 158901207) is 4-[2-[5-[2-(5-chloro-2-pyridinyl)ethyl]-1,3-dioxan-2-yl]ethyl]-6-methoxyquinoline.
What is the SMILES notation for 4-[2-[5-[2-(5-chloro-2-pyridinyl)ethyl]-1,3-dioxan-2-yl]ethyl]-6-methoxyquinoline?
The canonical SMILES for 4-[2-[5-[2-(5-chloro-2-pyridinyl)ethyl]-1,3-dioxan-2-yl]ethyl]-6-methoxyquinoline is COc1ccc2nccc(CCC3OCC(CCc4ccc(Cl)cn4)CO3)c2c1.
What is the InChIKey of 4-[2-[5-[2-(5-chloro-2-pyridinyl)ethyl]-1,3-dioxan-2-yl]ethyl]-6-methoxyquinoline?
The InChIKey is JFLVZSVGBCQKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c1-27-20-7-8-22-21(12-20)17(10-11-25-22)3-9-23-28-14-16(15-29-23)2-5-19-6-4-18(24)13-26-19/h4,6-8,10-13,16,23H,2-3,5,9,14-15H2,1H3.
What are the key properties of 4-[2-[5-[2-(5-chloro-2-pyridinyl)ethyl]-1,3-dioxan-2-yl]ethyl]-6-methoxyquinoline?
4-[2-[5-[2-(5-chloro-2-pyridinyl)ethyl]-1,3-dioxan-2-yl]ethyl]-6-methoxyquinoline has a molecular weight of 412.92 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-[2-(5-chloro-2-pyridinyl)ethyl]-1,3-dioxan-2-yl]ethyl]-6-methoxyquinoline is sourced from PubChem (CID 158901207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).