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

C24H26N4O4 — CID 139505183

IUPACtert-butyl N-[4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate
SMILESCOc1cc2ncc3ncn(Cc4ccc(NC(=O)OC(C)(C)C)cc4)c3c2cc1OC
InChIInChI=1S/C24H26N4O4/c1-24(2,3)32-23(29)27-16-8-6-15(7-9-16)13-28-14-26-19-12-25-18-11-21(31-5)20(30-4)10-17(18)22(19)28/h6-12,14H,13H2,1-5H3,(H,27,29)
InChIKeyVYYHJWIXQJIEOA-UHFFFAOYSA-N
MW434.50 g/mol
LogP5.00
Rot. Bonds5

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

tert-butyl N-[4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate (PubChem CID 139505183) 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)methyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate
PubChem CID139505183
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Nametert-butyl N-[4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate
SMILESCOc1cc2ncc3ncn(Cc4ccc(NC(=O)OC(C)(C)C)cc4)c3c2cc1OC
InChIInChI=1S/C24H26N4O4/c1-24(2,3)32-23(29)27-16-8-6-15(7-9-16)13-28-14-26-19-12-25-18-11-21(31-5)20(30-4)10-17(18)22(19)28/h6-12,14H,13H2,1-5H3,(H,27,29)
InChIKeyVYYHJWIXQJIEOA-UHFFFAOYSA-N
XLogP5.00
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 ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

tert-butyl N-[[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methyl]carbamate
CID 139504793
tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 171419898
[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methylcarbamic acid
CID 139490700
4-[(5,6-dimethoxybenzimidazol-1-yl)methyl]benzoic acid
CID 94723431
[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)anilino] 2,2,2-trifluoroacetate
CID 139490392
4-[(6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]benzoate
CID 7749360
tert-butyl N-[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]carbamate
CID 171419876
tert-butyl N-[[4-[(6,7-dimethoxy-3-nitroquinolin-4-yl)amino]phenyl]methyl]carbamate
CID 149091574
tert-butyl N-[4-[4-(4-amino-2-methoxyphenoxy)butyl]phenyl]carbamate
CID 142744776
tert-butyl N-[4-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate
CID 31332475
7-methoxy-1-[(4-nitrosophenyl)methyl]imidazo[4,5-c]quinoline
CID 139490585
tert-butyl N-[2-[[4-[(3,4-dimethoxybenzoyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917493

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate (CID 139505183) is tert-butyl N-[4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate is COc1cc2ncc3ncn(Cc4ccc(NC(=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)methyl]phenyl]carbamate?
The InChIKey is VYYHJWIXQJIEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-24(2,3)32-23(29)27-16-8-6-15(7-9-16)13-28-14-26-19-12-25-18-11-21(31-5)20(30-4)10-17(18)22(19)28/h6-12,14H,13H2,1-5H3,(H,27,29).
What are the key properties of tert-butyl N-[4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate?
tert-butyl N-[4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate has a molecular weight of 434.50 g/mol, XLogP of 5.00, 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)methyl]phenyl]carbamate is sourced from PubChem (CID 139505183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).