2-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline

C22H27FN4 — CID 97209448

IUPAC2-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline
SMILESCCCCn1ccnc1[C@@H]1CCCN(c2cc(C)c3cc(F)ccc3n2)C1
InChIInChI=1S/C22H27FN4/c1-3-4-10-26-12-9-24-22(26)17-6-5-11-27(15-17)21-13-16(2)19-14-18(23)7-8-20(19)25-21/h7-9,12-14,17H,3-6,10-11,15H2,1-2H3/t17-/m1/s1
InChIKeyCBMDCCCKUHFXGS-QGZVFWFLSA-N
MW366.48 g/mol
LogP5.06
Rot. Bonds5

About 2-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline

2-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline (PubChem CID 97209448) has the molecular formula C22H27FN4 and a molecular weight of 366.48 g/mol. Its IUPAC name is 2-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline.

Molecular Properties

Compound Name2-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline
PubChem CID97209448
Molecular FormulaC22H27FN4
Molecular Weight366.48 g/mol
Exact Mass366.22
IUPAC Name2-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline
SMILESCCCCn1ccnc1[C@@H]1CCCN(c2cc(C)c3cc(F)ccc3n2)C1
InChIInChI=1S/C22H27FN4/c1-3-4-10-26-12-9-24-22(26)17-6-5-11-27(15-17)21-13-16(2)19-14-18(23)7-8-20(19)25-21/h7-9,12-14,17H,3-6,10-11,15H2,1-2H3/t17-/m1/s1
InChIKeyCBMDCCCKUHFXGS-QGZVFWFLSA-N
XLogP5.06
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.48
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline
CID 72934277
2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-4-methyl-6-methylsulfanylquinoline
CID 97128222
N,N-dimethyl-3-[2-[1-(4-methylquinolin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 72940306
4-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-6-propylpyrimidine
CID 72857071
2-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-methylpyridine
CID 97192145
4-methyl-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 72859530
4-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine
CID 97203412
4-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine
CID 97203413
6-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-N,N-dimethylpyrazin-2-amine
CID 97192564
6-fluoro-4-methyl-2-pyrrolidin-1-ylquinoline
CID 46891905
N,N-dimethyl-3-[2-[(3R)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 97209396
3-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-5-ethyl-1,2,4-oxadiazole
CID 72858078

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline?
The IUPAC name of 2-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline (CID 97209448) is 2-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline.
What is the SMILES notation for 2-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline?
The canonical SMILES for 2-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline is CCCCn1ccnc1[C@@H]1CCCN(c2cc(C)c3cc(F)ccc3n2)C1.
What is the InChIKey of 2-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline?
The InChIKey is CBMDCCCKUHFXGS-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27FN4/c1-3-4-10-26-12-9-24-22(26)17-6-5-11-27(15-17)21-13-16(2)19-14-18(23)7-8-20(19)25-21/h7-9,12-14,17H,3-6,10-11,15H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline?
2-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline has a molecular weight of 366.48 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline is sourced from PubChem (CID 97209448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).