6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydrotetrazolo[1,5-a]quinoline

C25H27N7 — CID 58064214

IUPAC6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydrotetrazolo[1,5-a]quinoline
SMILESCc1ccc2c(N3CCN(CCc4cccc5c4CCc4nnnn4-5)CC3)cccc2n1
InChIInChI=1S/C25H27N7/c1-18-8-9-21-22(26-18)5-3-6-23(21)31-16-14-30(15-17-31)13-12-19-4-2-7-24-20(19)10-11-25-27-28-29-32(24)25/h2-9H,10-17H2,1H3
InChIKeyVGHVWGRGVPMFMW-UHFFFAOYSA-N
MW425.54 g/mol
LogP2.98
Rot. Bonds4

About 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydrotetrazolo[1,5-a]quinoline

6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydrotetrazolo[1,5-a]quinoline (PubChem CID 58064214) has the molecular formula C25H27N7 and a molecular weight of 425.54 g/mol. Its IUPAC name is 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydrotetrazolo[1,5-a]quinoline.

Molecular Properties

Compound Name6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydrotetrazolo[1,5-a]quinoline
PubChem CID58064214
Molecular FormulaC25H27N7
Molecular Weight425.54 g/mol
Exact Mass425.23
IUPAC Name6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydrotetrazolo[1,5-a]quinoline
SMILESCc1ccc2c(N3CCN(CCc4cccc5c4CCc4nnnn4-5)CC3)cccc2n1
InChIInChI=1S/C25H27N7/c1-18-8-9-21-22(26-18)5-3-6-23(21)31-16-14-30(15-17-31)13-12-19-4-2-7-24-20(19)10-11-25-27-28-29-32(24)25/h2-9H,10-17H2,1H3
InChIKeyVGHVWGRGVPMFMW-UHFFFAOYSA-N
XLogP2.98
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydrotetrazolo[1,5-a]quinoline with MolForge

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Related Compounds

5-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylquinoline
CID 91453986
1-[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethanone
CID 58064299
N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide
CID 58064297
azane;6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]triazolo[1,5-a]quinoline-3-carboxylic acid
CID 173008107
5-[4-[2-(5-bromo-2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylquinoline
CID 57444350
5-[4-[2-(3-iodophenyl)ethyl]piperazin-1-yl]-2-methylquinoline
CID 57444355
3-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3a,4-dihydro-3H-triazolo[5,1-c][1,4]benzoxazine
CID 143193470
ethyl 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate;dihydrochloride
CID 66683244
6-[2-[(2R)-4-(7-fluoro-2-methylquinolin-5-yl)-2-methylpiperazin-1-yl]ethyl]-4,5-dihydrotriazolo[1,5-a]quinoline-3-carboxylic acid
CID 58064114
6-bromo-3-fluoro-2-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenol
CID 58064240
N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxamide;dihydrochloride
CID 66682679
5-[4-[2-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)phenyl]ethyl]piperazin-1-yl]-2-methylquinoline
CID 86608443

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydrotetrazolo[1,5-a]quinoline?
The IUPAC name of 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydrotetrazolo[1,5-a]quinoline (CID 58064214) is 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydrotetrazolo[1,5-a]quinoline.
What is the SMILES notation for 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydrotetrazolo[1,5-a]quinoline?
The canonical SMILES for 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydrotetrazolo[1,5-a]quinoline is Cc1ccc2c(N3CCN(CCc4cccc5c4CCc4nnnn4-5)CC3)cccc2n1.
What is the InChIKey of 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydrotetrazolo[1,5-a]quinoline?
The InChIKey is VGHVWGRGVPMFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7/c1-18-8-9-21-22(26-18)5-3-6-23(21)31-16-14-30(15-17-31)13-12-19-4-2-7-24-20(19)10-11-25-27-28-29-32(24)25/h2-9H,10-17H2,1H3.
What are the key properties of 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydrotetrazolo[1,5-a]quinoline?
6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydrotetrazolo[1,5-a]quinoline has a molecular weight of 425.54 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4,5-dihydrotetrazolo[1,5-a]quinoline is sourced from PubChem (CID 58064214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).