(4-propan-2-ylpiperazin-1-yl)-quinolin-7-ylmethanone

C17H21N3O — CID 162199187

IUPAC(4-propan-2-ylpiperazin-1-yl)-quinolin-7-ylmethanone
SMILESCC(C)N1CCN(C(=O)c2ccc3cccnc3c2)CC1
InChIInChI=1S/C17H21N3O/c1-13(2)19-8-10-20(11-9-19)17(21)15-6-5-14-4-3-7-18-16(14)12-15/h3-7,12-13H,8-11H2,1-2H3
InChIKeyMLKJBTGGRBFRAW-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.40
Rot. Bonds2

About (4-propan-2-ylpiperazin-1-yl)-quinolin-7-ylmethanone

(4-propan-2-ylpiperazin-1-yl)-quinolin-7-ylmethanone (PubChem CID 162199187) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (4-propan-2-ylpiperazin-1-yl)-quinolin-7-ylmethanone.

Molecular Properties

Compound Name(4-propan-2-ylpiperazin-1-yl)-quinolin-7-ylmethanone
PubChem CID162199187
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(4-propan-2-ylpiperazin-1-yl)-quinolin-7-ylmethanone
SMILESCC(C)N1CCN(C(=O)c2ccc3cccnc3c2)CC1
InChIInChI=1S/C17H21N3O/c1-13(2)19-8-10-20(11-9-19)17(21)15-6-5-14-4-3-7-18-16(14)12-15/h3-7,12-13H,8-11H2,1-2H3
InChIKeyMLKJBTGGRBFRAW-UHFFFAOYSA-N
XLogP2.40
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-bromoethyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 106839347
2-[4-(quinoline-7-carbonyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 138543038
(4-propan-2-ylpiperazin-1-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone
CID 53149033
[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]-quinolin-6-ylmethanone
CID 96574836
2-methyl-2-pyrrolidin-1-yl-1-quinolin-7-ylpropan-1-one
CID 81220953
N-[3-(morpholine-4-carbonyl)phenyl]quinoline-7-carboxamide
CID 155312844
(4-benzhydrylpiperazin-1-yl)-quinoxalin-6-ylmethanone
CID 9337084
tert-butyl 4-(1-quinolin-7-ylethyl)piperazine-1-carboxylate
CID 142414052
(4-propan-2-ylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
CID 69070920
[4-(2-aminoethyl)piperazin-1-yl]-quinolin-6-ylmethanone
CID 62850573
(4-ethylpiperazin-1-yl)-[4-(quinolin-7-ylmethylamino)phenyl]methanone
CID 166360675
(4-chloro-3-iodophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47039261

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylpiperazin-1-yl)-quinolin-7-ylmethanone?
The IUPAC name of (4-propan-2-ylpiperazin-1-yl)-quinolin-7-ylmethanone (CID 162199187) is (4-propan-2-ylpiperazin-1-yl)-quinolin-7-ylmethanone.
What is the SMILES notation for (4-propan-2-ylpiperazin-1-yl)-quinolin-7-ylmethanone?
The canonical SMILES for (4-propan-2-ylpiperazin-1-yl)-quinolin-7-ylmethanone is CC(C)N1CCN(C(=O)c2ccc3cccnc3c2)CC1.
What is the InChIKey of (4-propan-2-ylpiperazin-1-yl)-quinolin-7-ylmethanone?
The InChIKey is MLKJBTGGRBFRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13(2)19-8-10-20(11-9-19)17(21)15-6-5-14-4-3-7-18-16(14)12-15/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of (4-propan-2-ylpiperazin-1-yl)-quinolin-7-ylmethanone?
(4-propan-2-ylpiperazin-1-yl)-quinolin-7-ylmethanone has a molecular weight of 283.38 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylpiperazin-1-yl)-quinolin-7-ylmethanone is sourced from PubChem (CID 162199187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).