[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]-quinolin-6-ylmethanone

C19H25N3O — CID 96574836

IUPAC[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]-quinolin-6-ylmethanone
SMILESCC[C@@H]1CN(C(=O)c2ccc3ncccc3c2)CCN1C(C)C
InChIInChI=1S/C19H25N3O/c1-4-17-13-21(10-11-22(17)14(2)3)19(23)16-7-8-18-15(12-16)6-5-9-20-18/h5-9,12,14,17H,4,10-11,13H2,1-3H3/t17-/m1/s1
InChIKeyROIJBKYBMIXRSD-QGZVFWFLSA-N
MW311.43 g/mol
LogP3.18
Rot. Bonds3

About [(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]-quinolin-6-ylmethanone

[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]-quinolin-6-ylmethanone (PubChem CID 96574836) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is [(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]-quinolin-6-ylmethanone
PubChem CID96574836
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]-quinolin-6-ylmethanone
SMILESCC[C@@H]1CN(C(=O)c2ccc3ncccc3c2)CCN1C(C)C
InChIInChI=1S/C19H25N3O/c1-4-17-13-21(10-11-22(17)14(2)3)19(23)16-7-8-18-15(12-16)6-5-9-20-18/h5-9,12,14,17H,4,10-11,13H2,1-3H3/t17-/m1/s1
InChIKeyROIJBKYBMIXRSD-QGZVFWFLSA-N
XLogP3.18
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(dimethylamino)phenyl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
CID 70762011
[3-(dimethylamino)phenyl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 96578559
(2-cyclopropylpyrimidin-5-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
CID 72911490
[4-(1-bromoethyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 106839347
methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate
CID 78988205
[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119412655
2-[3-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]phenyl]benzamide
CID 126434276
(3-ethyl-4-propan-2-ylpiperazin-1-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 56745157
[6-(benzylamino)-3-pyridinyl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 28954600
[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]-quinolin-6-ylmethanone
CID 110203935
(4-propan-2-ylpiperazin-1-yl)-quinolin-7-ylmethanone
CID 162199187
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 72900733

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]-quinolin-6-ylmethanone?
The IUPAC name of [(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]-quinolin-6-ylmethanone (CID 96574836) is [(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]-quinolin-6-ylmethanone is CC[C@@H]1CN(C(=O)c2ccc3ncccc3c2)CCN1C(C)C.
What is the InChIKey of [(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]-quinolin-6-ylmethanone?
The InChIKey is ROIJBKYBMIXRSD-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-17-13-21(10-11-22(17)14(2)3)19(23)16-7-8-18-15(12-16)6-5-9-20-18/h5-9,12,14,17H,4,10-11,13H2,1-3H3/t17-/m1/s1.
What are the key properties of [(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]-quinolin-6-ylmethanone?
[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]-quinolin-6-ylmethanone has a molecular weight of 311.43 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 96574836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).