2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide

C23H30N4O2 — CID 39488256

IUPAC2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)c2cc(C3CC3)nc3ccccc23)CC1
InChIInChI=1S/C23H30N4O2/c1-3-26(4-2)22(28)16-25-11-13-27(14-12-25)23(29)19-15-21(17-9-10-17)24-20-8-6-5-7-18(19)20/h5-8,15,17H,3-4,9-14,16H2,1-2H3
InChIKeySCHQAZYQYWXRLX-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.74
Rot. Bonds6

About 2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide

2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide (PubChem CID 39488256) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
PubChem CID39488256
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)c2cc(C3CC3)nc3ccccc23)CC1
InChIInChI=1S/C23H30N4O2/c1-3-26(4-2)22(28)16-25-11-13-27(14-12-25)23(29)19-15-21(17-9-10-17)24-20-8-6-5-7-18(19)20/h5-8,15,17H,3-4,9-14,16H2,1-2H3
InChIKeySCHQAZYQYWXRLX-UHFFFAOYSA-N
XLogP2.74
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78794847
(2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645943
(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119374525
(2-cyclopropylquinolin-4-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone
CID 17473888
N,N-dimethyl-2-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]acetamide
CID 46653075
(2-cyclopropylquinolin-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119540094
1-[(3R)-3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 92638688
1-[3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 110251602
N,N-diethyl-2-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]acetamide
CID 78844945
[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 31368629
2-[4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 155983035
(2-cyclopropylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;dihydrochloride
CID 119636803

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide (CID 39488256) is 2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCN(C(=O)c2cc(C3CC3)nc3ccccc23)CC1.
What is the InChIKey of 2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide?
The InChIKey is SCHQAZYQYWXRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-3-26(4-2)22(28)16-25-11-13-27(14-12-25)23(29)19-15-21(17-9-10-17)24-20-8-6-5-7-18(19)20/h5-8,15,17H,3-4,9-14,16H2,1-2H3.
What are the key properties of 2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide?
2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide has a molecular weight of 394.52 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 39488256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).