(Z)-2-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-phenylprop-2-enamide

C28H28N6O — CID 46504488

IUPAC(Z)-2-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-phenylprop-2-enamide
SMILESC/C(=C/c1ccccc1)C(=O)Nc1ccc2nc(N3CCN(c4ncccn4)CC3)cc(C)c2c1
InChIInChI=1S/C28H28N6O/c1-20-18-26(33-13-15-34(16-14-33)28-29-11-6-12-30-28)32-25-10-9-23(19-24(20)25)31-27(35)21(2)17-22-7-4-3-5-8-22/h3-12,17-19H,13-16H2,1-2H3,(H,31,35)/b21-17-
InChIKeyUXNQTEWZDQWTFU-FXBPSFAMSA-N
MW464.57 g/mol
LogP4.70
Rot. Bonds5

About (Z)-2-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-phenylprop-2-enamide

(Z)-2-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-phenylprop-2-enamide (PubChem CID 46504488) has the molecular formula C28H28N6O and a molecular weight of 464.57 g/mol. Its IUPAC name is (Z)-2-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-phenylprop-2-enamide
PubChem CID46504488
Molecular FormulaC28H28N6O
Molecular Weight464.57 g/mol
Exact Mass464.23
IUPAC Name(Z)-2-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-phenylprop-2-enamide
SMILESC/C(=C/c1ccccc1)C(=O)Nc1ccc2nc(N3CCN(c4ncccn4)CC3)cc(C)c2c1
InChIInChI=1S/C28H28N6O/c1-20-18-26(33-13-15-34(16-14-33)28-29-11-6-12-30-28)32-25-10-9-23(19-24(20)25)31-27(35)21(2)17-22-7-4-3-5-8-22/h3-12,17-19H,13-16H2,1-2H3,(H,31,35)/b21-17-
InChIKeyUXNQTEWZDQWTFU-FXBPSFAMSA-N
XLogP4.70
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-2-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-phenylprop-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

2-ethoxy-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]benzamide
CID 3236794
4-ethoxy-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]benzamide
CID 6265762
(E)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-(2-propan-2-yloxyphenyl)prop-2-enamide
CID 6047140
3-(2,3-dimethoxyphenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]prop-2-enamide
CID 4244682
(E)-3-(2,5-dimethoxyphenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]prop-2-enamide
CID 6265761
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)pyridine-2-carboxamide
CID 4662676
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]acetamide
CID 5087169
N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 22427697
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 46364144
6-[(4-methylbenzoyl)amino]-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)quinoline-4-carboxylic acid
CID 46326914
1-(4-bromophenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea
CID 46280031
1-(3-bromophenyl)-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea
CID 46288414

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-2-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-phenylprop-2-enamide (CID 46504488) is (Z)-2-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-2-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-2-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-phenylprop-2-enamide is C/C(=C/c1ccccc1)C(=O)Nc1ccc2nc(N3CCN(c4ncccn4)CC3)cc(C)c2c1.
What is the InChIKey of (Z)-2-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-phenylprop-2-enamide?
The InChIKey is UXNQTEWZDQWTFU-FXBPSFAMSA-N. The full InChI is InChI=1S/C28H28N6O/c1-20-18-26(33-13-15-34(16-14-33)28-29-11-6-12-30-28)32-25-10-9-23(19-24(20)25)31-27(35)21(2)17-22-7-4-3-5-8-22/h3-12,17-19H,13-16H2,1-2H3,(H,31,35)/b21-17-.
What are the key properties of (Z)-2-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-phenylprop-2-enamide?
(Z)-2-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-phenylprop-2-enamide has a molecular weight of 464.57 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 46504488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).