(E)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3-quinolin-8-ylprop-2-enamide

C24H27N5O — CID 86968796

IUPAC(E)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3-quinolin-8-ylprop-2-enamide
SMILESCC(CN1CCN(c2ccccn2)CC1)NC(=O)/C=C/c1cccc2cccnc12
InChIInChI=1S/C24H27N5O/c1-19(18-28-14-16-29(17-15-28)22-9-2-3-12-25-22)27-23(30)11-10-21-7-4-6-20-8-5-13-26-24(20)21/h2-13,19H,14-18H2,1H3,(H,27,30)/b11-10+
InChIKeyVHYDRHPOFDYAKF-ZHACJKMWSA-N
MW401.51 g/mol
LogP2.97
Rot. Bonds6

About (E)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3-quinolin-8-ylprop-2-enamide

(E)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3-quinolin-8-ylprop-2-enamide (PubChem CID 86968796) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is (E)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3-quinolin-8-ylprop-2-enamide
PubChem CID86968796
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name(E)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3-quinolin-8-ylprop-2-enamide
SMILESCC(CN1CCN(c2ccccn2)CC1)NC(=O)/C=C/c1cccc2cccnc12
InChIInChI=1S/C24H27N5O/c1-19(18-28-14-16-29(17-15-28)22-9-2-3-12-25-22)27-23(30)11-10-21-7-4-6-20-8-5-13-26-24(20)21/h2-13,19H,14-18H2,1H3,(H,27,30)/b11-10+
InChIKeyVHYDRHPOFDYAKF-ZHACJKMWSA-N
XLogP2.97
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3-quinolin-8-ylprop-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

(E)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-quinolin-8-ylprop-2-en-1-one
CID 47019082
2-(2,6-dichlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 86968963
N-benzhydryl-3-quinolin-8-ylprop-2-enamide
CID 55503823
3-(methylsulfonylmethyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 86968837
methyl (2S,3S)-3-methyl-2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]pentanoate
CID 47084216
2-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 86968871
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
1-(3-chlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]cyclobutane-1-carboxamide
CID 86968950
(E)-N-[1-(4-methylphenyl)propyl]-3-quinolin-8-ylprop-2-enamide
CID 24623993
N-[4-oxo-4-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]butyl]thiophene-2-carboxamide
CID 86968886
N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 86969810
2-acetamido-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 71157049

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3-quinolin-8-ylprop-2-enamide?
The IUPAC name of (E)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3-quinolin-8-ylprop-2-enamide (CID 86968796) is (E)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3-quinolin-8-ylprop-2-enamide?
The canonical SMILES for (E)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3-quinolin-8-ylprop-2-enamide is CC(CN1CCN(c2ccccn2)CC1)NC(=O)/C=C/c1cccc2cccnc12.
What is the InChIKey of (E)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3-quinolin-8-ylprop-2-enamide?
The InChIKey is VHYDRHPOFDYAKF-ZHACJKMWSA-N. The full InChI is InChI=1S/C24H27N5O/c1-19(18-28-14-16-29(17-15-28)22-9-2-3-12-25-22)27-23(30)11-10-21-7-4-6-20-8-5-13-26-24(20)21/h2-13,19H,14-18H2,1H3,(H,27,30)/b11-10+.
What are the key properties of (E)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3-quinolin-8-ylprop-2-enamide?
(E)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3-quinolin-8-ylprop-2-enamide has a molecular weight of 401.51 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 86968796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).