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

C24H27N5O2 — CID 164926458

IUPACethyl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(NC(=O)OCC)cc1
InChIInChI=1S/C24H27N5O2/c1-3-5-10-20-28-21-22(18-8-6-7-9-19(18)27-23(21)25)29(20)15-16-11-13-17(14-12-16)26-24(30)31-4-2/h6-9,11-14H,3-5,10,15H2,1-2H3,(H2,25,27)(H,26,30)
InChIKeyGRUKPVDGMOHGNW-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.13
Rot. Bonds7

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

ethyl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate (PubChem CID 164926458) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is ethyl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate
PubChem CID164926458
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Nameethyl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(NC(=O)OCC)cc1
InChIInChI=1S/C24H27N5O2/c1-3-5-10-20-28-21-22(18-8-6-7-9-19(18)27-23(21)25)29(20)15-16-11-13-17(14-12-16)26-24(30)31-4-2/h6-9,11-14H,3-5,10,15H2,1-2H3,(H2,25,27)(H,26,30)
InChIKeyGRUKPVDGMOHGNW-UHFFFAOYSA-N
XLogP5.13
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate (CID 164926458) is ethyl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate is CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(NC(=O)OCC)cc1.
What is the InChIKey of ethyl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate?
The InChIKey is GRUKPVDGMOHGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-3-5-10-20-28-21-22(18-8-6-7-9-19(18)27-23(21)25)29(20)15-16-11-13-17(14-12-16)26-24(30)31-4-2/h6-9,11-14H,3-5,10,15H2,1-2H3,(H2,25,27)(H,26,30).
What are the key properties of ethyl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate?
ethyl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate has a molecular weight of 417.51 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate is sourced from PubChem (CID 164926458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).