N,N-diethyl-2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxamide

C22H32N4O — CID 11210859

IUPACN,N-diethyl-2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxamide
SMILESCCCc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N(CC)CC
InChIInChI=1S/C22H32N4O/c1-5-10-18-20(22(27)25(6-2)7-3)17-11-8-9-12-19(17)23-21(18)26-15-13-24(4)14-16-26/h8-9,11-12H,5-7,10,13-16H2,1-4H3
InChIKeyGQUKZMKYVNVNKR-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.42
Rot. Bonds6

About N,N-diethyl-2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxamide

N,N-diethyl-2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxamide (PubChem CID 11210859) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is N,N-diethyl-2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxamide
PubChem CID11210859
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC NameN,N-diethyl-2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxamide
SMILESCCCc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N(CC)CC
InChIInChI=1S/C22H32N4O/c1-5-10-18-20(22(27)25(6-2)7-3)17-11-8-9-12-19(17)23-21(18)26-15-13-24(4)14-16-26/h8-9,11-12H,5-7,10,13-16H2,1-4H3
InChIKeyGQUKZMKYVNVNKR-UHFFFAOYSA-N
XLogP3.42
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tzb-30878
CID 11430418
4-Butyl-N-[2-(4-ethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-benzamide
CID 3410248
2-(4-methylpiperazin-1-yl)-5H-benzo(c)(1,5)naphthyridin-6-one
CID 9796149
Kaspar
CID 10365638
3-Amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7-trihydro-3h-cyclopenta[d]pyrimidin-4-one
CID 23155834
1,3-Dimethyl-1,2,3,4-tetrahydropyrimido[4,5-b]quinoline-2,4-dione
CID 2785858
Cambridge id 7007502
CID 753478
N-(2-quinolinyl)benzamide
CID 2812454
4-methyl-N-quinolin-2-ylbenzamide
CID 2812455
Cambridge id 6030410
CID 761228
2-(4-Methylphenyl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]quinoline
CID 2093195
Mesmar
CID 3025767

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxamide?
The IUPAC name of N,N-diethyl-2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxamide (CID 11210859) is N,N-diethyl-2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxamide is CCCc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxamide?
The InChIKey is GQUKZMKYVNVNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-5-10-18-20(22(27)25(6-2)7-3)17-11-8-9-12-19(17)23-21(18)26-15-13-24(4)14-16-26/h8-9,11-12H,5-7,10,13-16H2,1-4H3.
What are the key properties of N,N-diethyl-2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxamide?
N,N-diethyl-2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxamide has a molecular weight of 368.53 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxamide is sourced from PubChem (CID 11210859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).