1-methyl-6-[3-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3,4-dihydro-2H-quinoline

C22H29N5 — CID 92628974

IUPAC1-methyl-6-[3-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3,4-dihydro-2H-quinoline
SMILESCc1nn([C@H](C)Cn2cncc2-c2ccc3c(c2)CCCN3C)c(C)c1C
InChIInChI=1S/C22H29N5/c1-15(27-18(4)16(2)17(3)24-27)13-26-14-23-12-22(26)20-8-9-21-19(11-20)7-6-10-25(21)5/h8-9,11-12,14-15H,6-7,10,13H2,1-5H3/t15-/m1/s1
InChIKeyHHXSMTMEGGRIHY-OAHLLOKOSA-N
MW363.51 g/mol
LogP4.32
Rot. Bonds4

About 1-methyl-6-[3-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3,4-dihydro-2H-quinoline

1-methyl-6-[3-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3,4-dihydro-2H-quinoline (PubChem CID 92628974) has the molecular formula C22H29N5 and a molecular weight of 363.51 g/mol. Its IUPAC name is 1-methyl-6-[3-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-methyl-6-[3-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3,4-dihydro-2H-quinoline
PubChem CID92628974
Molecular FormulaC22H29N5
Molecular Weight363.51 g/mol
Exact Mass363.24
IUPAC Name1-methyl-6-[3-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3,4-dihydro-2H-quinoline
SMILESCc1nn([C@H](C)Cn2cncc2-c2ccc3c(c2)CCCN3C)c(C)c1C
InChIInChI=1S/C22H29N5/c1-15(27-18(4)16(2)17(3)24-27)13-26-14-23-12-22(26)20-8-9-21-19(11-20)7-6-10-25(21)5/h8-9,11-12,14-15H,6-7,10,13H2,1-5H3/t15-/m1/s1
InChIKeyHHXSMTMEGGRIHY-OAHLLOKOSA-N
XLogP4.32
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-6-[3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]imidazol-4-yl]-3,4-dihydro-2H-quinoline
CID 92628983
4-[2-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)imidazol-1-yl]butyl]morpholine;hydrochloride
CID 118741788
1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline
CID 121385714
5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carbonitrile
CID 121385664
hexane;1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline
CID 145091188
1-propyl-5-[3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]imidazol-4-yl]-2,3-dihydroindole
CID 46980341
[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methanamine
CID 39226329
1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-2,3-dihydroindole
CID 10948528
5-(1-methyl-2,3-dihydroindol-5-yl)-3-(2-methylpropyl)imidazol-4-amine
CID 62095299
1-methyl-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazole-3-carbonitrile
CID 121385730
1-methyl-3,4-dihydro-2H-1,6-naphthyridine
CID 45079501
N-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 62096142

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[3-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-methyl-6-[3-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3,4-dihydro-2H-quinoline (CID 92628974) is 1-methyl-6-[3-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-methyl-6-[3-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-methyl-6-[3-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3,4-dihydro-2H-quinoline is Cc1nn([C@H](C)Cn2cncc2-c2ccc3c(c2)CCCN3C)c(C)c1C.
What is the InChIKey of 1-methyl-6-[3-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3,4-dihydro-2H-quinoline?
The InChIKey is HHXSMTMEGGRIHY-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H29N5/c1-15(27-18(4)16(2)17(3)24-27)13-26-14-23-12-22(26)20-8-9-21-19(11-20)7-6-10-25(21)5/h8-9,11-12,14-15H,6-7,10,13H2,1-5H3/t15-/m1/s1.
What are the key properties of 1-methyl-6-[3-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3,4-dihydro-2H-quinoline?
1-methyl-6-[3-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3,4-dihydro-2H-quinoline has a molecular weight of 363.51 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[3-[(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 92628974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).