(Z)-2-[1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-yl]-2-hydrazinylethenamine

C21H22Cl2N6 — CID 142278475

IUPAC(Z)-2-[1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-yl]-2-hydrazinylethenamine
SMILESN/C=C(\NN)C1CCCN(c2ncnc3cccc(-c4ccc(Cl)c(Cl)c4)c23)C1
InChIInChI=1S/C21H22Cl2N6/c22-16-7-6-13(9-17(16)23)15-4-1-5-18-20(15)21(27-12-26-18)29-8-2-3-14(11-29)19(10-24)28-25/h1,4-7,9-10,12,14,28H,2-3,8,11,24-25H2/b19-10-
InChIKeyLQWLSWXYKQTQDX-GRSHGNNSSA-N
MW429.36 g/mol
LogP4.08
Rot. Bonds4

About (Z)-2-[1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-yl]-2-hydrazinylethenamine

(Z)-2-[1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-yl]-2-hydrazinylethenamine (PubChem CID 142278475) has the molecular formula C21H22Cl2N6 and a molecular weight of 429.36 g/mol. Its IUPAC name is (Z)-2-[1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-yl]-2-hydrazinylethenamine.

Molecular Properties

Compound Name(Z)-2-[1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-yl]-2-hydrazinylethenamine
PubChem CID142278475
Molecular FormulaC21H22Cl2N6
Molecular Weight429.36 g/mol
Exact Mass428.13
IUPAC Name(Z)-2-[1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-yl]-2-hydrazinylethenamine
SMILESN/C=C(\NN)C1CCCN(c2ncnc3cccc(-c4ccc(Cl)c(Cl)c4)c23)C1
InChIInChI=1S/C21H22Cl2N6/c22-16-7-6-13(9-17(16)23)15-4-1-5-18-20(15)21(27-12-26-18)29-8-2-3-14(11-29)19(10-24)28-25/h1,4-7,9-10,12,14,28H,2-3,8,11,24-25H2/b19-10-
InChIKeyLQWLSWXYKQTQDX-GRSHGNNSSA-N
XLogP4.08
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.36
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-2-[1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-yl]-2-hydrazinylethenamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidine-3-carboxamide
CID 134210536
1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-ol
CID 134211393
1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]-N-methylsulfanylpiperidine-3-carboxamide
CID 134220274
1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidine-3-carbonitrile
CID 134210287
1-[5-(3-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220226
(3R)-1-[5-(3-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220358
(3S)-1-[5-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220216
1-(5-naphthalen-2-ylquinazolin-4-yl)piperidine-3-carboxylic acid
CID 134210616
methyl 1-[2-amino-5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidine-3-carboxylate
CID 134210579
1-[5-(3,4-dichlorophenyl)-7-methylquinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220246
1-[5-(3-fluorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220206
1-[5-(3-chlorophenyl)quinazolin-4-yl]piperidine-3-carbaldehyde
CID 142278628

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-yl]-2-hydrazinylethenamine?
The IUPAC name of (Z)-2-[1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-yl]-2-hydrazinylethenamine (CID 142278475) is (Z)-2-[1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-yl]-2-hydrazinylethenamine.
What is the SMILES notation for (Z)-2-[1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-yl]-2-hydrazinylethenamine?
The canonical SMILES for (Z)-2-[1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-yl]-2-hydrazinylethenamine is N/C=C(\NN)C1CCCN(c2ncnc3cccc(-c4ccc(Cl)c(Cl)c4)c23)C1.
What is the InChIKey of (Z)-2-[1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-yl]-2-hydrazinylethenamine?
The InChIKey is LQWLSWXYKQTQDX-GRSHGNNSSA-N. The full InChI is InChI=1S/C21H22Cl2N6/c22-16-7-6-13(9-17(16)23)15-4-1-5-18-20(15)21(27-12-26-18)29-8-2-3-14(11-29)19(10-24)28-25/h1,4-7,9-10,12,14,28H,2-3,8,11,24-25H2/b19-10-.
What are the key properties of (Z)-2-[1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-yl]-2-hydrazinylethenamine?
(Z)-2-[1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-yl]-2-hydrazinylethenamine has a molecular weight of 429.36 g/mol, XLogP of 4.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-yl]-2-hydrazinylethenamine is sourced from PubChem (CID 142278475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).