(Z)-N'-[2-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]ethyl]-3-hydroxyprop-2-enimidamide

C19H17Cl2N5O — CID 142253434

IUPAC(Z)-N'-[2-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]ethyl]-3-hydroxyprop-2-enimidamide
SMILESNC(/C=C\O)=N\CCNc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C19H17Cl2N5O/c20-12-5-6-13(15(21)11-12)19-25-16-4-2-1-3-14(16)18(26-19)24-9-8-23-17(22)7-10-27/h1-7,10-11,27H,8-9H2,(H2,22,23)(H,24,25,26)/b10-7-
InChIKeyIOYOTXQTEMJRHP-YFHOEESVSA-N
MW402.29 g/mol
LogP4.44
Rot. Bonds6

About (Z)-N'-[2-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]ethyl]-3-hydroxyprop-2-enimidamide

(Z)-N'-[2-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]ethyl]-3-hydroxyprop-2-enimidamide (PubChem CID 142253434) has the molecular formula C19H17Cl2N5O and a molecular weight of 402.29 g/mol. Its IUPAC name is (Z)-N'-[2-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]ethyl]-3-hydroxyprop-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-[2-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]ethyl]-3-hydroxyprop-2-enimidamide
PubChem CID142253434
Molecular FormulaC19H17Cl2N5O
Molecular Weight402.29 g/mol
Exact Mass401.08
IUPAC Name(Z)-N'-[2-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]ethyl]-3-hydroxyprop-2-enimidamide
SMILESNC(/C=C\O)=N\CCNc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C19H17Cl2N5O/c20-12-5-6-13(15(21)11-12)19-25-16-4-2-1-3-14(16)18(26-19)24-9-8-23-17(22)7-10-27/h1-7,10-11,27H,8-9H2,(H2,22,23)(H,24,25,26)/b10-7-
InChIKeyIOYOTXQTEMJRHP-YFHOEESVSA-N
XLogP4.44
TPSA96.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (Z)-N'-[2-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]ethyl]-3-hydroxyprop-2-enimidamide 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

N'-[4-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]butyl]-3-(methylamino)prop-2-enimidamide
CID 173480564
N'-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine
CID 10126697
N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride
CID 18593626
N'-[3-(2,4-dichlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine
CID 171981731
4-N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-2-methanimidoylbenzene-1,4-diamine
CID 142172419
2-(2-chlorophenyl)-N-[(4-chlorophenyl)methylideneamino]quinazolin-4-amine
CID 5160943
2-[3-[[2-[(E)-2-(4-chlorophenyl)ethenyl]quinazolin-4-yl]amino]propyl]guanidine
CID 22667933
3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propanoic acid
CID 7728857
2-(2-chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine
CID 727473
2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylquinazoline
CID 914636
3-[[2-(3,4-dichlorophenyl)quinazolin-4-yl]amino]propan-1-ol
CID 21491344
2-(4-amino-2-chlorophenyl)quinazolin-4-amine
CID 89358180

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-[2-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]ethyl]-3-hydroxyprop-2-enimidamide?
The IUPAC name of (Z)-N'-[2-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]ethyl]-3-hydroxyprop-2-enimidamide (CID 142253434) is (Z)-N'-[2-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]ethyl]-3-hydroxyprop-2-enimidamide.
What is the SMILES notation for (Z)-N'-[2-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]ethyl]-3-hydroxyprop-2-enimidamide?
The canonical SMILES for (Z)-N'-[2-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]ethyl]-3-hydroxyprop-2-enimidamide is NC(/C=C\O)=N\CCNc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12.
What is the InChIKey of (Z)-N'-[2-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]ethyl]-3-hydroxyprop-2-enimidamide?
The InChIKey is IOYOTXQTEMJRHP-YFHOEESVSA-N. The full InChI is InChI=1S/C19H17Cl2N5O/c20-12-5-6-13(15(21)11-12)19-25-16-4-2-1-3-14(16)18(26-19)24-9-8-23-17(22)7-10-27/h1-7,10-11,27H,8-9H2,(H2,22,23)(H,24,25,26)/b10-7-.
What are the key properties of (Z)-N'-[2-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]ethyl]-3-hydroxyprop-2-enimidamide?
(Z)-N'-[2-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]ethyl]-3-hydroxyprop-2-enimidamide has a molecular weight of 402.29 g/mol, XLogP of 4.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-[2-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]ethyl]-3-hydroxyprop-2-enimidamide is sourced from PubChem (CID 142253434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).