tert-butyl N-[[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methyl]carbamate

C24H26N4O4 — CID 139504793

IUPACtert-butyl N-[[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methyl]carbamate
SMILESCOc1cc2ncc3ncn(-c4ccc(CNC(=O)OC(C)(C)C)cc4)c3c2cc1OC
InChIInChI=1S/C24H26N4O4/c1-24(2,3)32-23(29)26-12-15-6-8-16(9-7-15)28-14-27-19-13-25-18-11-21(31-5)20(30-4)10-17(18)22(19)28/h6-11,13-14H,12H2,1-5H3,(H,26,29)
InChIKeyBNUMKDAZEUTFMG-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.62
Rot. Bonds5

About tert-butyl N-[[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methyl]carbamate

tert-butyl N-[[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methyl]carbamate (PubChem CID 139504793) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is tert-butyl N-[[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methyl]carbamate
PubChem CID139504793
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Nametert-butyl N-[[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methyl]carbamate
SMILESCOc1cc2ncc3ncn(-c4ccc(CNC(=O)OC(C)(C)C)cc4)c3c2cc1OC
InChIInChI=1S/C24H26N4O4/c1-24(2,3)32-23(29)26-12-15-6-8-16(9-7-15)28-14-27-19-13-25-18-11-21(31-5)20(30-4)10-17(18)22(19)28/h6-11,13-14H,12H2,1-5H3,(H,26,29)
InChIKeyBNUMKDAZEUTFMG-UHFFFAOYSA-N
XLogP4.62
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methyl]carbamate with MolForge

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Related Compounds

[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methylcarbamic acid
CID 139490700
tert-butyl N-[4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate
CID 139505183
[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)anilino] 2,2,2-trifluoroacetate
CID 139490392
tert-butyl N-[[4-[(6,7-dimethoxy-3-nitroquinolin-4-yl)amino]phenyl]methyl]carbamate
CID 149091574
tert-butyl N-[2-[[4-[(3,4-dimethoxybenzoyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917493
tert-butyl N-[(3-methoxy-4-propoxyphenyl)methyl]carbamate
CID 54777005
tert-butyl N-[[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]methyl]carbamate
CID 10710098
tert-butyl N-[(6,7-dimethoxyisoquinolin-1-yl)methyl]carbamate
CID 141101320
tert-butyl N-[[4-[1-(4-methylphenyl)-1,2,4-triazol-3-yl]phenyl]methyl]carbamate
CID 90439618
2-[2-methoxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]ethyl-trimethylazanium bromide
CID 10549988
tert-butyl N-[[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 26704671
tert-butyl N-[[4-(3-methoxy-2-pyridinyl)phenyl]methyl]carbamate
CID 171625964

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methyl]carbamate (CID 139504793) is tert-butyl N-[[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methyl]carbamate is COc1cc2ncc3ncn(-c4ccc(CNC(=O)OC(C)(C)C)cc4)c3c2cc1OC.
What is the InChIKey of tert-butyl N-[[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methyl]carbamate?
The InChIKey is BNUMKDAZEUTFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-24(2,3)32-23(29)26-12-15-6-8-16(9-7-15)28-14-27-19-13-25-18-11-21(31-5)20(30-4)10-17(18)22(19)28/h6-11,13-14H,12H2,1-5H3,(H,26,29).
What are the key properties of tert-butyl N-[[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methyl]carbamate?
tert-butyl N-[[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methyl]carbamate has a molecular weight of 434.50 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methyl]carbamate is sourced from PubChem (CID 139504793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).