N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide

C18H22ClN5O2 — CID 172692306

IUPACN-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CCCNC(=O)CCl
InChIInChI=1S/C18H22ClN5O2/c1-2-26-11-14-23-16-17(24(14)9-5-8-21-15(25)10-19)12-6-3-4-7-13(12)22-18(16)20/h3-4,6-7H,2,5,8-11H2,1H3,(H2,20,22)(H,21,25)
InChIKeyBVOFOBQEVNSHDW-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.45
Rot. Bonds8

About N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide

N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide (PubChem CID 172692306) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide
PubChem CID172692306
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC NameN-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CCCNC(=O)CCl
InChIInChI=1S/C18H22ClN5O2/c1-2-26-11-14-23-16-17(24(14)9-5-8-21-15(25)10-19)12-6-3-4-7-13(12)22-18(16)20/h3-4,6-7H,2,5,8-11H2,1H3,(H2,20,22)(H,21,25)
InChIKeyBVOFOBQEVNSHDW-UHFFFAOYSA-N
XLogP2.45
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid
CID 146308241
tert-butyl N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]carbamate
CID 10046489
2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethylcarbamic acid
CID 90884300
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-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2-iodopropanamide
CID 146320064
2-[(2R)-2-amino-3-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]-3-oxopropyl]sulfanylethyl acetate
CID 90160716
(4S)-5-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 122591350
2-(ethoxymethyl)-1-ethylimidazo[4,5-c]quinolin-4-amine
CID 122646444
(NE)-N-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentan-2-ylidene]hydroxylamine
CID 58869097
2-(ethoxymethyl)-1-[3-(propan-2-ylideneamino)oxypropyl]imidazo[4,5-c]quinolin-4-amine
CID 58835308
3-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]propane-1-sulfonamide
CID 68996460

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide?
The IUPAC name of N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide (CID 172692306) is N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide.
What is the SMILES notation for N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide?
The canonical SMILES for N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide is CCOCc1nc2c(N)nc3ccccc3c2n1CCCNC(=O)CCl.
What is the InChIKey of N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide?
The InChIKey is BVOFOBQEVNSHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c1-2-26-11-14-23-16-17(24(14)9-5-8-21-15(25)10-19)12-6-3-4-7-13(12)22-18(16)20/h3-4,6-7H,2,5,8-11H2,1H3,(H2,20,22)(H,21,25).
What are the key properties of N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide?
N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide has a molecular weight of 375.86 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide is sourced from PubChem (CID 172692306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).