2-(1-ethylpyrazol-4-yl)-N-(3-morpholin-4-yl-3-oxopropyl)quinoline-4-carboxamide

C22H25N5O3 — CID 46957598

IUPAC2-(1-ethylpyrazol-4-yl)-N-(3-morpholin-4-yl-3-oxopropyl)quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)NCCC(=O)N3CCOCC3)c3ccccc3n2)cn1
InChIInChI=1S/C22H25N5O3/c1-2-27-15-16(14-24-27)20-13-18(17-5-3-4-6-19(17)25-20)22(29)23-8-7-21(28)26-9-11-30-12-10-26/h3-6,13-15H,2,7-12H2,1H3,(H,23,29)
InChIKeyUARIDIWVWJVVFF-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.10
Rot. Bonds6

About 2-(1-ethylpyrazol-4-yl)-N-(3-morpholin-4-yl-3-oxopropyl)quinoline-4-carboxamide

2-(1-ethylpyrazol-4-yl)-N-(3-morpholin-4-yl-3-oxopropyl)quinoline-4-carboxamide (PubChem CID 46957598) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-N-(3-morpholin-4-yl-3-oxopropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-N-(3-morpholin-4-yl-3-oxopropyl)quinoline-4-carboxamide
PubChem CID46957598
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name2-(1-ethylpyrazol-4-yl)-N-(3-morpholin-4-yl-3-oxopropyl)quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)NCCC(=O)N3CCOCC3)c3ccccc3n2)cn1
InChIInChI=1S/C22H25N5O3/c1-2-27-15-16(14-24-27)20-13-18(17-5-3-4-6-19(17)25-20)22(29)23-8-7-21(28)26-9-11-30-12-10-26/h3-6,13-15H,2,7-12H2,1H3,(H,23,29)
InChIKeyUARIDIWVWJVVFF-UHFFFAOYSA-N
XLogP2.10
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518786
2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide
CID 7017788
2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide
CID 19513031
2-(1-ethylpyrazol-4-yl)-N-(2-hydroxyphenyl)quinoline-4-carboxamide
CID 19518526
2-(1-ethylpyrazol-4-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
CID 19584056
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518571
1,3-dihydroisoindol-2-yl-[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46990998
2-(1-ethylpyrazol-4-yl)-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 19518623
N-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518625
2-(1-ethylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide
CID 19518645
2-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4184624
N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518443

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-N-(3-morpholin-4-yl-3-oxopropyl)quinoline-4-carboxamide?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-N-(3-morpholin-4-yl-3-oxopropyl)quinoline-4-carboxamide (CID 46957598) is 2-(1-ethylpyrazol-4-yl)-N-(3-morpholin-4-yl-3-oxopropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-N-(3-morpholin-4-yl-3-oxopropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-N-(3-morpholin-4-yl-3-oxopropyl)quinoline-4-carboxamide is CCn1cc(-c2cc(C(=O)NCCC(=O)N3CCOCC3)c3ccccc3n2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-N-(3-morpholin-4-yl-3-oxopropyl)quinoline-4-carboxamide?
The InChIKey is UARIDIWVWJVVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-2-27-15-16(14-24-27)20-13-18(17-5-3-4-6-19(17)25-20)22(29)23-8-7-21(28)26-9-11-30-12-10-26/h3-6,13-15H,2,7-12H2,1H3,(H,23,29).
What are the key properties of 2-(1-ethylpyrazol-4-yl)-N-(3-morpholin-4-yl-3-oxopropyl)quinoline-4-carboxamide?
2-(1-ethylpyrazol-4-yl)-N-(3-morpholin-4-yl-3-oxopropyl)quinoline-4-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-N-(3-morpholin-4-yl-3-oxopropyl)quinoline-4-carboxamide is sourced from PubChem (CID 46957598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).