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

C24H31N3O3 — CID 127044721

IUPACtert-butyl 5-(dipropylcarbamoyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate
SMILESCCCN(CCC)C(=O)c1c(C)c2c(C(=O)OC(C)(C)C)ncn2c2ccccc12
InChIInChI=1S/C24H31N3O3/c1-7-13-26(14-8-2)22(28)19-16(3)21-20(23(29)30-24(4,5)6)25-15-27(21)18-12-10-9-11-17(18)19/h9-12,15H,7-8,13-14H2,1-6H3
InChIKeyCMFSAURPWWXOEJ-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.01
Rot. Bonds6

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

tert-butyl 5-(dipropylcarbamoyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate (PubChem CID 127044721) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is tert-butyl 5-(dipropylcarbamoyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(dipropylcarbamoyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate
PubChem CID127044721
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Nametert-butyl 5-(dipropylcarbamoyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate
SMILESCCCN(CCC)C(=O)c1c(C)c2c(C(=O)OC(C)(C)C)ncn2c2ccccc12
InChIInChI=1S/C24H31N3O3/c1-7-13-26(14-8-2)22(28)19-16(3)21-20(23(29)30-24(4,5)6)25-15-27(21)18-12-10-9-11-17(18)19/h9-12,15H,7-8,13-14H2,1-6H3
InChIKeyCMFSAURPWWXOEJ-UHFFFAOYSA-N
XLogP5.01
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(dipropylcarbamoyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate?
The IUPAC name of tert-butyl 5-(dipropylcarbamoyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate (CID 127044721) is tert-butyl 5-(dipropylcarbamoyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate.
What is the SMILES notation for tert-butyl 5-(dipropylcarbamoyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate?
The canonical SMILES for tert-butyl 5-(dipropylcarbamoyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate is CCCN(CCC)C(=O)c1c(C)c2c(C(=O)OC(C)(C)C)ncn2c2ccccc12.
What is the InChIKey of tert-butyl 5-(dipropylcarbamoyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate?
The InChIKey is CMFSAURPWWXOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-7-13-26(14-8-2)22(28)19-16(3)21-20(23(29)30-24(4,5)6)25-15-27(21)18-12-10-9-11-17(18)19/h9-12,15H,7-8,13-14H2,1-6H3.
What are the key properties of tert-butyl 5-(dipropylcarbamoyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate?
tert-butyl 5-(dipropylcarbamoyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate has a molecular weight of 409.53 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(dipropylcarbamoyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate is sourced from PubChem (CID 127044721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).