2-butyl-1-[[3-[(tert-butylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;2-butyl-1-[[4-(3,3-dimethylbutyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine

C53H67N9 — CID 162258982

IUPAC2-butyl-1-[[3-[(tert-butylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;2-butyl-1-[[4-(3,3-dimethylbutyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CCC(C)(C)C)cc1.CCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C27H34N4.C26H33N5/c1-5-6-11-23-30-24-25(21-9-7-8-10-22(21)29-26(24)28)31(23)18-20-14-12-19(13-15-20)16-17-27(2,3)4;1-5-6-14-22-30-23-24(20-12-7-8-13-21(20)29-25(23)27)31(22)17-19-11-9-10-18(15-19)16-28-26(2,3)4/h7-10,12-15H,5-6,11,16-18H2,1-4H3,(H2,28,29);7-13,15,28H,5-6,14,16-17H2,1-4H3,(H2,27,29)
InChIKeyZYZBECCXBKTGEI-UHFFFAOYSA-N
MW830.18 g/mol
LogP11.98
Rot. Bonds14

About 2-butyl-1-[[3-[(tert-butylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;2-butyl-1-[[4-(3,3-dimethylbutyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine

2-butyl-1-[[3-[(tert-butylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;2-butyl-1-[[4-(3,3-dimethylbutyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 162258982) has the molecular formula C53H67N9 and a molecular weight of 830.18 g/mol. Its IUPAC name is 2-butyl-1-[[3-[(tert-butylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;2-butyl-1-[[4-(3,3-dimethylbutyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-butyl-1-[[3-[(tert-butylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;2-butyl-1-[[4-(3,3-dimethylbutyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID162258982
Molecular FormulaC53H67N9
Molecular Weight830.18 g/mol
Exact Mass829.55
IUPAC Name2-butyl-1-[[3-[(tert-butylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;2-butyl-1-[[4-(3,3-dimethylbutyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CCC(C)(C)C)cc1.CCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C27H34N4.C26H33N5/c1-5-6-11-23-30-24-25(21-9-7-8-10-22(21)29-26(24)28)31(23)18-20-14-12-19(13-15-20)16-17-27(2,3)4;1-5-6-14-22-30-23-24(20-12-7-8-13-21(20)29-25(23)27)31(22)17-19-11-9-10-18(15-19)16-28-26(2,3)4/h7-10,12-15H,5-6,11,16-18H2,1-4H3,(H2,28,29);7-13,15,28H,5-6,14,16-17H2,1-4H3,(H2,27,29)
InChIKeyZYZBECCXBKTGEI-UHFFFAOYSA-N
XLogP11.98
TPSA125.49 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.18
LogP ≤ 511.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-butyl-1-[[3-[(tert-butylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;2-butyl-1-[[4-(3,3-dimethylbutyl)phenyl]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
[4-(tert-butylamino)phenyl]methyl N-[[3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 138645232
2-butyl-1-[(3-phenoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 164926465
2-butyl-1-[[4-[(nonadecylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138618993
7-N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]quinoline-4,7-diamine;ethane
CID 169185513
tert-butyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 71472212
2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376197
2-butyl-1-[(4-nitrophenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 90146175
2-butyl-1-(furan-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376202
2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine
CID 170078321
2-(2,2-dimethylbutanoylamino)ethyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 140918542
3-amino-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-(propanoylamino)propanamide
CID 172627056

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-[[3-[(tert-butylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;2-butyl-1-[[4-(3,3-dimethylbutyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-butyl-1-[[3-[(tert-butylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;2-butyl-1-[[4-(3,3-dimethylbutyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine (CID 162258982) is 2-butyl-1-[[3-[(tert-butylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;2-butyl-1-[[4-(3,3-dimethylbutyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-butyl-1-[[3-[(tert-butylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;2-butyl-1-[[4-(3,3-dimethylbutyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-butyl-1-[[3-[(tert-butylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;2-butyl-1-[[4-(3,3-dimethylbutyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine is CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CCC(C)(C)C)cc1.CCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccc(CNC(C)(C)C)c1.
What is the InChIKey of 2-butyl-1-[[3-[(tert-butylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;2-butyl-1-[[4-(3,3-dimethylbutyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is ZYZBECCXBKTGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4.C26H33N5/c1-5-6-11-23-30-24-25(21-9-7-8-10-22(21)29-26(24)28)31(23)18-20-14-12-19(13-15-20)16-17-27(2,3)4;1-5-6-14-22-30-23-24(20-12-7-8-13-21(20)29-25(23)27)31(22)17-19-11-9-10-18(15-19)16-28-26(2,3)4/h7-10,12-15H,5-6,11,16-18H2,1-4H3,(H2,28,29);7-13,15,28H,5-6,14,16-17H2,1-4H3,(H2,27,29).
What are the key properties of 2-butyl-1-[[3-[(tert-butylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;2-butyl-1-[[4-(3,3-dimethylbutyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine?
2-butyl-1-[[3-[(tert-butylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;2-butyl-1-[[4-(3,3-dimethylbutyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 830.18 g/mol, XLogP of 11.98, 14 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-[[3-[(tert-butylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;2-butyl-1-[[4-(3,3-dimethylbutyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 162258982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).