4-chloro-7-ethoxy-6-(1-hydroxyethylamino)quinoline-3-carbonitrile

C14H14ClN3O2 — CID 143338014

IUPAC4-chloro-7-ethoxy-6-(1-hydroxyethylamino)quinoline-3-carbonitrile
SMILESCCOc1cc2ncc(C#N)c(Cl)c2cc1NC(C)O
InChIInChI=1S/C14H14ClN3O2/c1-3-20-13-5-11-10(4-12(13)18-8(2)19)14(15)9(6-16)7-17-11/h4-5,7-8,18-19H,3H2,1-2H3
InChIKeyLMTUPLLBCQQBFQ-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.91
Rot. Bonds4

About 4-chloro-7-ethoxy-6-(1-hydroxyethylamino)quinoline-3-carbonitrile

4-chloro-7-ethoxy-6-(1-hydroxyethylamino)quinoline-3-carbonitrile (PubChem CID 143338014) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 4-chloro-7-ethoxy-6-(1-hydroxyethylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-7-ethoxy-6-(1-hydroxyethylamino)quinoline-3-carbonitrile
PubChem CID143338014
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name4-chloro-7-ethoxy-6-(1-hydroxyethylamino)quinoline-3-carbonitrile
SMILESCCOc1cc2ncc(C#N)c(Cl)c2cc1NC(C)O
InChIInChI=1S/C14H14ClN3O2/c1-3-20-13-5-11-10(4-12(13)18-8(2)19)14(15)9(6-16)7-17-11/h4-5,7-8,18-19H,3H2,1-2H3
InChIKeyLMTUPLLBCQQBFQ-UHFFFAOYSA-N
XLogP2.91
TPSA78.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-chloro-7-ethoxy-6-(1-hydroxyethylamino)quinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-6,7-diethoxyquinoline-3-carbonitrile
CID 10778872
4-chloro-6-nitro-7-propan-2-yloxyquinoline-3-carbonitrile
CID 71425068
4-chloro-6,7-dihydroxyquinoline-3-carbonitrile
CID 135742179
(4-chloro-3-cyano-7-methoxyquinolin-6-yl) acetate
CID 59164220
4-chloro-7-(3-chloropropyl)-6-methoxyquinoline-3-carbonitrile
CID 141337550
4-chloro-7-(4-chlorobutoxy)-6-methoxyquinoline-3-carbonitrile
CID 11727096
6-amino-7-ethoxy-4-methylquinoline-3-carbonitrile
CID 89103315
(4-chloro-3-cyano-7-hydroxyquinolin-6-yl) acetate
CID 136614427
4-[(3,4-dichlorophenyl)methylamino]-6,7-diethoxyquinoline-3-carbonitrile
CID 10136640
N-(4-chloro-3-cyano-7-ethoxy-2-ethylquinolin-6-yl)acetamide
CID 177179154
(4-chloro-3-cyano-7-methoxyquinolin-6-yl) 2,2-dimethylpropanoate
CID 141337524
4-ethoxy-6-(1-hydroxypropyl)pyridine-3-carbonitrile
CID 163464520

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-ethoxy-6-(1-hydroxyethylamino)quinoline-3-carbonitrile?
The IUPAC name of 4-chloro-7-ethoxy-6-(1-hydroxyethylamino)quinoline-3-carbonitrile (CID 143338014) is 4-chloro-7-ethoxy-6-(1-hydroxyethylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 4-chloro-7-ethoxy-6-(1-hydroxyethylamino)quinoline-3-carbonitrile?
The canonical SMILES for 4-chloro-7-ethoxy-6-(1-hydroxyethylamino)quinoline-3-carbonitrile is CCOc1cc2ncc(C#N)c(Cl)c2cc1NC(C)O.
What is the InChIKey of 4-chloro-7-ethoxy-6-(1-hydroxyethylamino)quinoline-3-carbonitrile?
The InChIKey is LMTUPLLBCQQBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-3-20-13-5-11-10(4-12(13)18-8(2)19)14(15)9(6-16)7-17-11/h4-5,7-8,18-19H,3H2,1-2H3.
What are the key properties of 4-chloro-7-ethoxy-6-(1-hydroxyethylamino)quinoline-3-carbonitrile?
4-chloro-7-ethoxy-6-(1-hydroxyethylamino)quinoline-3-carbonitrile has a molecular weight of 291.74 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-ethoxy-6-(1-hydroxyethylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 143338014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).