acetic acid;6-[1-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]imidazol-2-yl]quinoline

C22H26N4O4 — CID 154922638

IUPACacetic acid;6-[1-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]imidazol-2-yl]quinoline
SMILESCC(=O)O.CC(=O)O.c1cnc2ccc(-c3nccn3[C@H]3C[C@H]4CC[C@@H]3N4)cc2c1
InChIInChI=1S/C18H18N4.2C2H4O2/c1-2-12-10-13(3-5-15(12)19-7-1)18-20-8-9-22(18)17-11-14-4-6-16(17)21-14;2*1-2(3)4/h1-3,5,7-10,14,16-17,21H,4,6,11H2;2*1H3,(H,3,4)/t14-,16+,17+;;/m1../s1
InChIKeyGMOLRWPKIDLMON-YUFDCCDASA-N
MW410.47 g/mol
LogP3.35
Rot. Bonds2

About acetic acid;6-[1-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]imidazol-2-yl]quinoline

acetic acid;6-[1-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]imidazol-2-yl]quinoline (PubChem CID 154922638) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is acetic acid;6-[1-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]imidazol-2-yl]quinoline.

Molecular Properties

Compound Nameacetic acid;6-[1-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]imidazol-2-yl]quinoline
PubChem CID154922638
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Nameacetic acid;6-[1-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]imidazol-2-yl]quinoline
SMILESCC(=O)O.CC(=O)O.c1cnc2ccc(-c3nccn3[C@H]3C[C@H]4CC[C@@H]3N4)cc2c1
InChIInChI=1S/C18H18N4.2C2H4O2/c1-2-12-10-13(3-5-15(12)19-7-1)18-20-8-9-22(18)17-11-14-4-6-16(17)21-14;2*1-2(3)4/h1-3,5,7-10,14,16-17,21H,4,6,11H2;2*1H3,(H,3,4)/t14-,16+,17+;;/m1../s1
InChIKeyGMOLRWPKIDLMON-YUFDCCDASA-N
XLogP3.35
TPSA117.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze acetic acid;6-[1-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]imidazol-2-yl]quinoline with MolForge

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Related Compounds

acetic acid;6-[1-[(2S,4S)-2-ethylpiperidin-4-yl]imidazol-2-yl]quinoline
CID 154921481
(E)-but-2-enedioic acid;bis(6-methylquinoline)
CID 139196250
acetic acid;6-pyrrolidin-2-ylquinoline
CID 16740812
2-methyl-2-(5-quinolin-6-yltetrazol-1-yl)propanoic acid
CID 66040593
acetic acid;quinoline
CID 67159702
6-(3-methylphenyl)quinoline
CID 4185278
ethane;quinoline-6-carboxylic acid
CID 91364452
(1-ethylimidazol-2-yl)-quinolin-6-ylmethanone
CID 62873887
2-quinolin-6-ylcyclobutane-1-carboxylic acid
CID 81221529
1-methyl-2-quinolin-6-ylimidazol-4-ol
CID 106952318
3-[(2-quinolin-6-ylimidazol-1-yl)methyl]piperidin-3-ol;dihydrochloride
CID 154921300
6-[2-(4-methylphenyl)cyclobutyl]quinoline
CID 172635808

Frequently Asked Questions

What is the IUPAC name of acetic acid;6-[1-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]imidazol-2-yl]quinoline?
The IUPAC name of acetic acid;6-[1-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]imidazol-2-yl]quinoline (CID 154922638) is acetic acid;6-[1-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]imidazol-2-yl]quinoline.
What is the SMILES notation for acetic acid;6-[1-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]imidazol-2-yl]quinoline?
The canonical SMILES for acetic acid;6-[1-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]imidazol-2-yl]quinoline is CC(=O)O.CC(=O)O.c1cnc2ccc(-c3nccn3[C@H]3C[C@H]4CC[C@@H]3N4)cc2c1.
What is the InChIKey of acetic acid;6-[1-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]imidazol-2-yl]quinoline?
The InChIKey is GMOLRWPKIDLMON-YUFDCCDASA-N. The full InChI is InChI=1S/C18H18N4.2C2H4O2/c1-2-12-10-13(3-5-15(12)19-7-1)18-20-8-9-22(18)17-11-14-4-6-16(17)21-14;2*1-2(3)4/h1-3,5,7-10,14,16-17,21H,4,6,11H2;2*1H3,(H,3,4)/t14-,16+,17+;;/m1../s1.
What are the key properties of acetic acid;6-[1-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]imidazol-2-yl]quinoline?
acetic acid;6-[1-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]imidazol-2-yl]quinoline has a molecular weight of 410.47 g/mol, XLogP of 3.35, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;6-[1-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]imidazol-2-yl]quinoline is sourced from PubChem (CID 154922638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).