propan-2-yl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate

C25H29N5O2 — CID 164926398

IUPACpropan-2-yl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(NC(=O)OC(C)C)cc1
InChIInChI=1S/C25H29N5O2/c1-4-5-10-21-29-22-23(19-8-6-7-9-20(19)28-24(22)26)30(21)15-17-11-13-18(14-12-17)27-25(31)32-16(2)3/h6-9,11-14,16H,4-5,10,15H2,1-3H3,(H2,26,28)(H,27,31)
InChIKeyBQVDAUNLITXUAG-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.51
Rot. Bonds7

About propan-2-yl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate

propan-2-yl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate (PubChem CID 164926398) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is propan-2-yl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate
PubChem CID164926398
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Namepropan-2-yl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(NC(=O)OC(C)C)cc1
InChIInChI=1S/C25H29N5O2/c1-4-5-10-21-29-22-23(19-8-6-7-9-20(19)28-24(22)26)30(21)15-17-11-13-18(14-12-17)27-25(31)32-16(2)3/h6-9,11-14,16H,4-5,10,15H2,1-3H3,(H2,26,28)(H,27,31)
InChIKeyBQVDAUNLITXUAG-UHFFFAOYSA-N
XLogP5.51
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate?
The IUPAC name of propan-2-yl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate (CID 164926398) is propan-2-yl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate is CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(NC(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate?
The InChIKey is BQVDAUNLITXUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-4-5-10-21-29-22-23(19-8-6-7-9-20(19)28-24(22)26)30(21)15-17-11-13-18(14-12-17)27-25(31)32-16(2)3/h6-9,11-14,16H,4-5,10,15H2,1-3H3,(H2,26,28)(H,27,31).
What are the key properties of propan-2-yl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate?
propan-2-yl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate has a molecular weight of 431.54 g/mol, XLogP of 5.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate is sourced from PubChem (CID 164926398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).