2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid

C16H19N5O3 — CID 146308241

IUPAC2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CCNC(=O)O
InChIInChI=1S/C16H19N5O3/c1-2-24-9-12-20-13-14(21(12)8-7-18-16(22)23)10-5-3-4-6-11(10)19-15(13)17/h3-6,18H,2,7-9H2,1H3,(H2,17,19)(H,22,23)
InChIKeySMXQFPDQUUFKLG-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.97
Rot. Bonds6

About 2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid

2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid (PubChem CID 146308241) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid
PubChem CID146308241
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CCNC(=O)O
InChIInChI=1S/C16H19N5O3/c1-2-24-9-12-20-13-14(21(12)8-7-18-16(22)23)10-5-3-4-6-11(10)19-15(13)17/h3-6,18H,2,7-9H2,1H3,(H2,17,19)(H,22,23)
InChIKeySMXQFPDQUUFKLG-UHFFFAOYSA-N
XLogP1.97
TPSA115.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethylcarbamic acid
CID 90884300
2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2-iodopropanamide
CID 146320064
N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide
CID 172692306
tert-butyl N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]carbamate
CID 10046489
2-(ethoxymethyl)-1-ethylimidazo[4,5-c]quinolin-4-amine
CID 122646444
1-(3-aminopropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 22344434
1-[4-(benzylamino)butyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 67519559
2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-amine
CID 118146427
2-[(2R)-2-amino-3-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]-3-oxopropyl]sulfanylethyl acetate
CID 90160716
1-[2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]-3-cyclohexylurea
CID 10004113
2-amino-N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-2-methylpropanamide
CID 138719993
(NE)-N-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentan-2-ylidene]hydroxylamine
CID 58869097

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid?
The IUPAC name of 2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid (CID 146308241) is 2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid?
The canonical SMILES for 2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid is CCOCc1nc2c(N)nc3ccccc3c2n1CCNC(=O)O.
What is the InChIKey of 2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid?
The InChIKey is SMXQFPDQUUFKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-2-24-9-12-20-13-14(21(12)8-7-18-16(22)23)10-5-3-4-6-11(10)19-15(13)17/h3-6,18H,2,7-9H2,1H3,(H2,17,19)(H,22,23).
What are the key properties of 2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid?
2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid has a molecular weight of 329.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid is sourced from PubChem (CID 146308241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).