2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide

C16H18ClN3O2 — CID 117094318

IUPAC2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C16H18ClN3O2/c17-15-11-13(12-3-1-2-4-14(12)19-15)16(21)18-5-6-20-7-9-22-10-8-20/h1-4,11H,5-10H2,(H,18,21)
InChIKeyZTFHUQGJOGZCQU-UHFFFAOYSA-N
MW319.79 g/mol
LogP1.95
Rot. Bonds4

About 2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide

2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide (PubChem CID 117094318) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
PubChem CID117094318
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C16H18ClN3O2/c17-15-11-13(12-3-1-2-4-14(12)19-15)16(21)18-5-6-20-7-9-22-10-8-20/h1-4,11H,5-10H2,(H,18,21)
InChIKeyZTFHUQGJOGZCQU-UHFFFAOYSA-N
XLogP1.95
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4576754
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 1354107
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4110000
2-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4184624
N-(2-morpholin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512877
2-(3-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 4053168
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 22422673
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide
CID 3442010
2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 2965752
N-(2-morpholin-4-ylethyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide
CID 117090394
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide (CID 117094318) is 2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide is O=C(NCCN1CCOCC1)c1cc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide?
The InChIKey is ZTFHUQGJOGZCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c17-15-11-13(12-3-1-2-4-14(12)19-15)16(21)18-5-6-20-7-9-22-10-8-20/h1-4,11H,5-10H2,(H,18,21).
What are the key properties of 2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide?
2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 117094318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).