2-butyl-1-[[1-[(oxan-4-ylamino)methyl]cyclopropyl]methyl]imidazo[4,5-c]quinolin-4-amine

C24H33N5O — CID 169260493

IUPAC2-butyl-1-[[1-[(oxan-4-ylamino)methyl]cyclopropyl]methyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CC1(CNC2CCOCC2)CC1
InChIInChI=1S/C24H33N5O/c1-2-3-8-20-28-21-22(18-6-4-5-7-19(18)27-23(21)25)29(20)16-24(11-12-24)15-26-17-9-13-30-14-10-17/h4-7,17,26H,2-3,8-16H2,1H3,(H2,25,27)
InChIKeyVONNPYAQGHIVHH-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.06
Rot. Bonds8

About 2-butyl-1-[[1-[(oxan-4-ylamino)methyl]cyclopropyl]methyl]imidazo[4,5-c]quinolin-4-amine

2-butyl-1-[[1-[(oxan-4-ylamino)methyl]cyclopropyl]methyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 169260493) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-butyl-1-[[1-[(oxan-4-ylamino)methyl]cyclopropyl]methyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-butyl-1-[[1-[(oxan-4-ylamino)methyl]cyclopropyl]methyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID169260493
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC Name2-butyl-1-[[1-[(oxan-4-ylamino)methyl]cyclopropyl]methyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CC1(CNC2CCOCC2)CC1
InChIInChI=1S/C24H33N5O/c1-2-3-8-20-28-21-22(18-6-4-5-7-19(18)27-23(21)25)29(20)16-24(11-12-24)15-26-17-9-13-30-14-10-17/h4-7,17,26H,2-3,8-16H2,1H3,(H2,25,27)
InChIKeyVONNPYAQGHIVHH-UHFFFAOYSA-N
XLogP4.06
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-butyl-1-[[1-[(oxan-4-ylamino)methyl]cyclopropyl]methyl]imidazo[4,5-c]quinolin-4-amine with MolForge

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Related Compounds

2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 134510359
2-butyl-1-(furan-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376202
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
2-butyl-8-(4-methylpiperazin-1-yl)-1-[(E)-4-(oxan-4-ylamino)but-2-enyl]imidazo[4,5-c]quinolin-4-amine
CID 169260510
2-butyl-1-[4-[(4-ethylphenyl)methyl-methylamino]butyl]imidazo[4,5-c]quinolin-4-amine
CID 167298983
1-[(E)-4-(1-adamantylmethylamino)but-2-enyl]-2-butylimidazo[4,5-c]quinolin-4-amine
CID 177290907
2-butyl-1-[[4-[(nonadecylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138618993
1-(2-methylpropyl)-2-pentylimidazo[4,5-c]quinolin-4-amine
CID 11185992
2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138645378
3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol
CID 166933556
2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine
CID 170078321
1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea
CID 18616841

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-[[1-[(oxan-4-ylamino)methyl]cyclopropyl]methyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-butyl-1-[[1-[(oxan-4-ylamino)methyl]cyclopropyl]methyl]imidazo[4,5-c]quinolin-4-amine (CID 169260493) is 2-butyl-1-[[1-[(oxan-4-ylamino)methyl]cyclopropyl]methyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-butyl-1-[[1-[(oxan-4-ylamino)methyl]cyclopropyl]methyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-butyl-1-[[1-[(oxan-4-ylamino)methyl]cyclopropyl]methyl]imidazo[4,5-c]quinolin-4-amine is CCCCc1nc2c(N)nc3ccccc3c2n1CC1(CNC2CCOCC2)CC1.
What is the InChIKey of 2-butyl-1-[[1-[(oxan-4-ylamino)methyl]cyclopropyl]methyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is VONNPYAQGHIVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c1-2-3-8-20-28-21-22(18-6-4-5-7-19(18)27-23(21)25)29(20)16-24(11-12-24)15-26-17-9-13-30-14-10-17/h4-7,17,26H,2-3,8-16H2,1H3,(H2,25,27).
What are the key properties of 2-butyl-1-[[1-[(oxan-4-ylamino)methyl]cyclopropyl]methyl]imidazo[4,5-c]quinolin-4-amine?
2-butyl-1-[[1-[(oxan-4-ylamino)methyl]cyclopropyl]methyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 407.56 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-[[1-[(oxan-4-ylamino)methyl]cyclopropyl]methyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 169260493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).