[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methylcarbamic acid

C20H18N4O4 — CID 139490700

IUPAC[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methylcarbamic acid
SMILESCOc1cc2ncc3ncn(-c4ccc(CNC(=O)O)cc4)c3c2cc1OC
InChIInChI=1S/C20H18N4O4/c1-27-17-7-14-15(8-18(17)28-2)21-10-16-19(14)24(11-23-16)13-5-3-12(4-6-13)9-22-20(25)26/h3-8,10-11,22H,9H2,1-2H3,(H,25,26)
InChIKeySDHYILXMOIOYMJ-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.36
Rot. Bonds5

About [4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methylcarbamic acid

[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methylcarbamic acid (PubChem CID 139490700) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is [4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methylcarbamic acid
PubChem CID139490700
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methylcarbamic acid
SMILESCOc1cc2ncc3ncn(-c4ccc(CNC(=O)O)cc4)c3c2cc1OC
InChIInChI=1S/C20H18N4O4/c1-27-17-7-14-15(8-18(17)28-2)21-10-16-19(14)24(11-23-16)13-5-3-12(4-6-13)9-22-20(25)26/h3-8,10-11,22H,9H2,1-2H3,(H,25,26)
InChIKeySDHYILXMOIOYMJ-UHFFFAOYSA-N
XLogP3.36
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methyl]carbamate
CID 139504793
[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)anilino] 2,2,2-trifluoroacetate
CID 139490392
tert-butyl N-[4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate
CID 139505183
3,4-dimethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 92679900
2-(3,4-dimethoxyphenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 92680069
1-benzyl-3-(6,7-dimethoxy-4-phenylquinolin-3-yl)urea
CID 19754489
5,6-dimethoxy-1-[4-[(sulfinatoamino)methyl]phenyl]benzimidazole
CID 155099993
6,7-dimethoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 118722445
[4-[[(3-amino-6,7-dimethoxyquinolin-4-yl)amino]methyl]phenyl]carbamic acid
CID 139490412
4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 24512913
N-[(3-amino-5-methylphenyl)methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide
CID 166238740
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-(benzimidazol-1-yl)benzamide
CID 55866271

Frequently Asked Questions

What is the IUPAC name of [4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methylcarbamic acid?
The IUPAC name of [4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methylcarbamic acid (CID 139490700) is [4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methylcarbamic acid.
What is the SMILES notation for [4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methylcarbamic acid?
The canonical SMILES for [4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methylcarbamic acid is COc1cc2ncc3ncn(-c4ccc(CNC(=O)O)cc4)c3c2cc1OC.
What is the InChIKey of [4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methylcarbamic acid?
The InChIKey is SDHYILXMOIOYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-27-17-7-14-15(8-18(17)28-2)21-10-16-19(14)24(11-23-16)13-5-3-12(4-6-13)9-22-20(25)26/h3-8,10-11,22H,9H2,1-2H3,(H,25,26).
What are the key properties of [4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methylcarbamic acid?
[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methylcarbamic acid has a molecular weight of 378.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methylcarbamic acid is sourced from PubChem (CID 139490700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).