tert-butyl 5-(3,5-dimethylpiperazine-1-carbonyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate

C24H30N4O3 — CID 21220820

IUPACtert-butyl 5-(3,5-dimethylpiperazine-1-carbonyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate
SMILESCc1c(C(=O)N2CC(C)NC(C)C2)c2ccccc2n2cnc(C(=O)OC(C)(C)C)c12
InChIInChI=1S/C24H30N4O3/c1-14-11-27(12-15(2)26-14)22(29)19-16(3)21-20(23(30)31-24(4,5)6)25-13-28(21)18-10-8-7-9-17(18)19/h7-10,13-15,26H,11-12H2,1-6H3
InChIKeyVCXSCISIRDGHFG-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.57
Rot. Bonds2

About tert-butyl 5-(3,5-dimethylpiperazine-1-carbonyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate

tert-butyl 5-(3,5-dimethylpiperazine-1-carbonyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate (PubChem CID 21220820) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is tert-butyl 5-(3,5-dimethylpiperazine-1-carbonyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(3,5-dimethylpiperazine-1-carbonyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate
PubChem CID21220820
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Nametert-butyl 5-(3,5-dimethylpiperazine-1-carbonyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate
SMILESCc1c(C(=O)N2CC(C)NC(C)C2)c2ccccc2n2cnc(C(=O)OC(C)(C)C)c12
InChIInChI=1S/C24H30N4O3/c1-14-11-27(12-15(2)26-14)22(29)19-16(3)21-20(23(30)31-24(4,5)6)25-13-28(21)18-10-8-7-9-17(18)19/h7-10,13-15,26H,11-12H2,1-6H3
InChIKeyVCXSCISIRDGHFG-UHFFFAOYSA-N
XLogP3.57
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-methyl-5-(pyrrolidine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate
CID 21220800
tert-butyl 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-6-methyl-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
CID 10812312
tert-butyl 5-(dimethylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate
CID 127045096
(3,5-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
CID 63873666
4-(3,5-dimethylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
CID 119564265
(3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride
CID 119564691
(3,5-dimethylpiperazin-1-yl)-phenylmethanone
CID 10560788
tert-butyl (3S,5S)-3,5-dimethylpiperazine-1-carboxylate;hydrochloride
CID 71720972
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 124590097
tert-butyl 3-(4-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 139192063
(2-bromo-6-fluorophenyl)-[(3S,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124569718
(3,5-dimethoxy-4-methylphenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 119564733

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(3,5-dimethylpiperazine-1-carbonyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate?
The IUPAC name of tert-butyl 5-(3,5-dimethylpiperazine-1-carbonyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate (CID 21220820) is tert-butyl 5-(3,5-dimethylpiperazine-1-carbonyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate.
What is the SMILES notation for tert-butyl 5-(3,5-dimethylpiperazine-1-carbonyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate?
The canonical SMILES for tert-butyl 5-(3,5-dimethylpiperazine-1-carbonyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate is Cc1c(C(=O)N2CC(C)NC(C)C2)c2ccccc2n2cnc(C(=O)OC(C)(C)C)c12.
What is the InChIKey of tert-butyl 5-(3,5-dimethylpiperazine-1-carbonyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate?
The InChIKey is VCXSCISIRDGHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-14-11-27(12-15(2)26-14)22(29)19-16(3)21-20(23(30)31-24(4,5)6)25-13-28(21)18-10-8-7-9-17(18)19/h7-10,13-15,26H,11-12H2,1-6H3.
What are the key properties of tert-butyl 5-(3,5-dimethylpiperazine-1-carbonyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate?
tert-butyl 5-(3,5-dimethylpiperazine-1-carbonyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate has a molecular weight of 422.53 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(3,5-dimethylpiperazine-1-carbonyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate is sourced from PubChem (CID 21220820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).