2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethyl carbamate

C21H19ClN4O3 — CID 175245681

IUPAC2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethyl carbamate
SMILESNC(=O)OCCn1c(CCl)nc2cnc3cc(OCc4ccccc4)ccc3c21
InChIInChI=1S/C21H19ClN4O3/c22-11-19-25-18-12-24-17-10-15(29-13-14-4-2-1-3-5-14)6-7-16(17)20(18)26(19)8-9-28-21(23)27/h1-7,10,12H,8-9,11,13H2,(H2,23,27)
InChIKeyVKIUDTZHGRHQOE-UHFFFAOYSA-N
MW410.86 g/mol
LogP4.00
Rot. Bonds7

About 2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethyl carbamate

2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethyl carbamate (PubChem CID 175245681) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethyl carbamate.

Molecular Properties

Compound Name2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethyl carbamate
PubChem CID175245681
Molecular FormulaC21H19ClN4O3
Molecular Weight410.86 g/mol
Exact Mass410.11
IUPAC Name2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethyl carbamate
SMILESNC(=O)OCCn1c(CCl)nc2cnc3cc(OCc4ccccc4)ccc3c21
InChIInChI=1S/C21H19ClN4O3/c22-11-19-25-18-12-24-17-10-15(29-13-14-4-2-1-3-5-14)6-7-16(17)20(18)26(19)8-9-28-21(23)27/h1-7,10,12H,8-9,11,13H2,(H2,23,27)
InChIKeyVKIUDTZHGRHQOE-UHFFFAOYSA-N
XLogP4.00
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethoxy]-dimethylsilane
CID 66649907
1-[2-(ethoxymethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 67051136
2-methyl-1-(2-methyl-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)propan-2-ol
CID 123382300
4-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butan-1-amine
CID 141108816
[1-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] carbamate
CID 68971607
2-(4-phenylmethoxyphenoxy)ethyl carbamate
CID 175203951
4-[4-amino-2-(2-hydroxyethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butylurea
CID 143012819
7-[4-amino-1-(2-phenoxyethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-2-yl]-1-phenylheptan-2-one
CID 58304322
2-methyl-1-(5-methylsulfanylpentyl)-8-phenylmethoxyimidazo[4,5-c]quinoline
CID 67051125
(4-chloro-7-phenylmethoxyquinolin-3-yl)methanol
CID 169092914
2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline
CID 22254436
benzyl 2-methyl-5-phenylmethoxyindazole-3-carboxylate
CID 170357733

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethyl carbamate?
The IUPAC name of 2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethyl carbamate (CID 175245681) is 2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethyl carbamate.
What is the SMILES notation for 2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethyl carbamate?
The canonical SMILES for 2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethyl carbamate is NC(=O)OCCn1c(CCl)nc2cnc3cc(OCc4ccccc4)ccc3c21.
What is the InChIKey of 2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethyl carbamate?
The InChIKey is VKIUDTZHGRHQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3/c22-11-19-25-18-12-24-17-10-15(29-13-14-4-2-1-3-5-14)6-7-16(17)20(18)26(19)8-9-28-21(23)27/h1-7,10,12H,8-9,11,13H2,(H2,23,27).
What are the key properties of 2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethyl carbamate?
2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethyl carbamate has a molecular weight of 410.86 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethyl carbamate is sourced from PubChem (CID 175245681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).