[4-(quinolin-2-ylmethoxy)phenyl]-(3-tricyclo[2.2.1.02,6]heptanyl)methanone;dihydrochloride

C24H23Cl2NO2 — CID 110188753

IUPAC[4-(quinolin-2-ylmethoxy)phenyl]-(3-tricyclo[2.2.1.02,6]heptanyl)methanone;dihydrochloride
SMILESCl.Cl.O=C(c1ccc(OCc2ccc3ccccc3n2)cc1)C1C2CC3C(C2)C31
InChIInChI=1S/C24H21NO2.2ClH/c26-24(22-16-11-19-20(12-16)23(19)22)15-6-9-18(10-7-15)27-13-17-8-5-14-3-1-2-4-21(14)25-17;;/h1-10,16,19-20,22-23H,11-13H2;2*1H
InChIKeyYTTWAFUJCHZPAU-UHFFFAOYSA-N
MW428.36 g/mol
LogP5.74
Rot. Bonds5

About [4-(quinolin-2-ylmethoxy)phenyl]-(3-tricyclo[2.2.1.02,6]heptanyl)methanone;dihydrochloride

[4-(quinolin-2-ylmethoxy)phenyl]-(3-tricyclo[2.2.1.02,6]heptanyl)methanone;dihydrochloride (PubChem CID 110188753) has the molecular formula C24H23Cl2NO2 and a molecular weight of 428.36 g/mol. Its IUPAC name is [4-(quinolin-2-ylmethoxy)phenyl]-(3-tricyclo[2.2.1.02,6]heptanyl)methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(quinolin-2-ylmethoxy)phenyl]-(3-tricyclo[2.2.1.02,6]heptanyl)methanone;dihydrochloride
PubChem CID110188753
Molecular FormulaC24H23Cl2NO2
Molecular Weight428.36 g/mol
Exact Mass427.11
IUPAC Name[4-(quinolin-2-ylmethoxy)phenyl]-(3-tricyclo[2.2.1.02,6]heptanyl)methanone;dihydrochloride
SMILESCl.Cl.O=C(c1ccc(OCc2ccc3ccccc3n2)cc1)C1C2CC3C(C2)C31
InChIInChI=1S/C24H21NO2.2ClH/c26-24(22-16-11-19-20(12-16)23(19)22)15-6-9-18(10-7-15)27-13-17-8-5-14-3-1-2-4-21(14)25-17;;/h1-10,16,19-20,22-23H,11-13H2;2*1H
InChIKeyYTTWAFUJCHZPAU-UHFFFAOYSA-N
XLogP5.74
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.36
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(quinolin-2-ylmethoxy)phenyl]-(3-tricyclo[2.2.1.02,6]heptanyl)methanone;dihydrochloride with MolForge

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Related Compounds

4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride
CID 19856159
cyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 123636048
methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate
CID 23224644
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
methyl 1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentane-1-carboxylate
CID 15052569
N-[(3-amino-1-hydroxycyclobutyl)methyl]-4-(quinolin-2-ylmethoxy)benzamide
CID 166305795
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
[3-[4-(quinolin-2-ylmethoxy)benzoyl]phenyl] acetate
CID 57179399
3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]propanethioic S-acid
CID 19069087

Frequently Asked Questions

What is the IUPAC name of [4-(quinolin-2-ylmethoxy)phenyl]-(3-tricyclo[2.2.1.02,6]heptanyl)methanone;dihydrochloride?
The IUPAC name of [4-(quinolin-2-ylmethoxy)phenyl]-(3-tricyclo[2.2.1.02,6]heptanyl)methanone;dihydrochloride (CID 110188753) is [4-(quinolin-2-ylmethoxy)phenyl]-(3-tricyclo[2.2.1.02,6]heptanyl)methanone;dihydrochloride.
What is the SMILES notation for [4-(quinolin-2-ylmethoxy)phenyl]-(3-tricyclo[2.2.1.02,6]heptanyl)methanone;dihydrochloride?
The canonical SMILES for [4-(quinolin-2-ylmethoxy)phenyl]-(3-tricyclo[2.2.1.02,6]heptanyl)methanone;dihydrochloride is Cl.Cl.O=C(c1ccc(OCc2ccc3ccccc3n2)cc1)C1C2CC3C(C2)C31.
What is the InChIKey of [4-(quinolin-2-ylmethoxy)phenyl]-(3-tricyclo[2.2.1.02,6]heptanyl)methanone;dihydrochloride?
The InChIKey is YTTWAFUJCHZPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2.2ClH/c26-24(22-16-11-19-20(12-16)23(19)22)15-6-9-18(10-7-15)27-13-17-8-5-14-3-1-2-4-21(14)25-17;;/h1-10,16,19-20,22-23H,11-13H2;2*1H.
What are the key properties of [4-(quinolin-2-ylmethoxy)phenyl]-(3-tricyclo[2.2.1.02,6]heptanyl)methanone;dihydrochloride?
[4-(quinolin-2-ylmethoxy)phenyl]-(3-tricyclo[2.2.1.02,6]heptanyl)methanone;dihydrochloride has a molecular weight of 428.36 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(quinolin-2-ylmethoxy)phenyl]-(3-tricyclo[2.2.1.02,6]heptanyl)methanone;dihydrochloride is sourced from PubChem (CID 110188753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).