2-butyl-1-[[4-[[tert-butyl(2-cyclopropylethyl)amino]methyl]naphthalen-1-yl]methyl]imidazo[4,5-c]quinolin-4-amine

C35H43N5 — CID 138645287

IUPAC2-butyl-1-[[4-[[tert-butyl(2-cyclopropylethyl)amino]methyl]naphthalen-1-yl]methyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CN(CCC2CC2)C(C)(C)C)c2ccccc12
InChIInChI=1S/C35H43N5/c1-5-6-15-31-38-32-33(29-13-9-10-14-30(29)37-34(32)36)40(31)23-26-19-18-25(27-11-7-8-12-28(26)27)22-39(35(2,3)4)21-20-24-16-17-24/h7-14,18-19,24H,5-6,15-17,20-23H2,1-4H3,(H2,36,37)
InChIKeyGYRIVPLEEGCTGP-UHFFFAOYSA-N
MW533.76 g/mol
LogP8.11
Rot. Bonds10

About 2-butyl-1-[[4-[[tert-butyl(2-cyclopropylethyl)amino]methyl]naphthalen-1-yl]methyl]imidazo[4,5-c]quinolin-4-amine

2-butyl-1-[[4-[[tert-butyl(2-cyclopropylethyl)amino]methyl]naphthalen-1-yl]methyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 138645287) has the molecular formula C35H43N5 and a molecular weight of 533.76 g/mol. Its IUPAC name is 2-butyl-1-[[4-[[tert-butyl(2-cyclopropylethyl)amino]methyl]naphthalen-1-yl]methyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-butyl-1-[[4-[[tert-butyl(2-cyclopropylethyl)amino]methyl]naphthalen-1-yl]methyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID138645287
Molecular FormulaC35H43N5
Molecular Weight533.76 g/mol
Exact Mass533.35
IUPAC Name2-butyl-1-[[4-[[tert-butyl(2-cyclopropylethyl)amino]methyl]naphthalen-1-yl]methyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CN(CCC2CC2)C(C)(C)C)c2ccccc12
InChIInChI=1S/C35H43N5/c1-5-6-15-31-38-32-33(29-13-9-10-14-30(29)37-34(32)36)40(31)23-26-19-18-25(27-11-7-8-12-28(26)27)22-39(35(2,3)4)21-20-24-16-17-24/h7-14,18-19,24H,5-6,15-17,20-23H2,1-4H3,(H2,36,37)
InChIKeyGYRIVPLEEGCTGP-UHFFFAOYSA-N
XLogP8.11
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.76
LogP ≤ 58.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-butyl-1-[[4-[[tert-butyl(2-cyclopropylethyl)amino]methyl]naphthalen-1-yl]methyl]imidazo[4,5-c]quinolin-4-amine with MolForge

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Related Compounds

2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138645378
2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 134510359
2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine
CID 10287302
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
N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylhexadecanamide
CID 138645202
N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butyloctadecanamide
CID 138645359
2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]benzene-1,4-diol
CID 153143132
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
2-butyl-1-(furan-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376202
2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376197
methyl 2-[4-[[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl-(1-methylpiperidin-4-yl)amino]methyl]phenyl]acetate
CID 25106691

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-[[4-[[tert-butyl(2-cyclopropylethyl)amino]methyl]naphthalen-1-yl]methyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-butyl-1-[[4-[[tert-butyl(2-cyclopropylethyl)amino]methyl]naphthalen-1-yl]methyl]imidazo[4,5-c]quinolin-4-amine (CID 138645287) is 2-butyl-1-[[4-[[tert-butyl(2-cyclopropylethyl)amino]methyl]naphthalen-1-yl]methyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-butyl-1-[[4-[[tert-butyl(2-cyclopropylethyl)amino]methyl]naphthalen-1-yl]methyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-butyl-1-[[4-[[tert-butyl(2-cyclopropylethyl)amino]methyl]naphthalen-1-yl]methyl]imidazo[4,5-c]quinolin-4-amine is CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CN(CCC2CC2)C(C)(C)C)c2ccccc12.
What is the InChIKey of 2-butyl-1-[[4-[[tert-butyl(2-cyclopropylethyl)amino]methyl]naphthalen-1-yl]methyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is GYRIVPLEEGCTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N5/c1-5-6-15-31-38-32-33(29-13-9-10-14-30(29)37-34(32)36)40(31)23-26-19-18-25(27-11-7-8-12-28(26)27)22-39(35(2,3)4)21-20-24-16-17-24/h7-14,18-19,24H,5-6,15-17,20-23H2,1-4H3,(H2,36,37).
What are the key properties of 2-butyl-1-[[4-[[tert-butyl(2-cyclopropylethyl)amino]methyl]naphthalen-1-yl]methyl]imidazo[4,5-c]quinolin-4-amine?
2-butyl-1-[[4-[[tert-butyl(2-cyclopropylethyl)amino]methyl]naphthalen-1-yl]methyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 533.76 g/mol, XLogP of 8.11, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-[[4-[[tert-butyl(2-cyclopropylethyl)amino]methyl]naphthalen-1-yl]methyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 138645287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).