N-[6-chloro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine

C17H24ClN5 — CID 88906086

IUPACN-[6-chloro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine
SMILESCC(C)=NN1C(N2CCN(C)CC2)=Nc2ccc(Cl)cc2C1C
InChIInChI=1S/C17H24ClN5/c1-12(2)20-23-13(3)15-11-14(18)5-6-16(15)19-17(23)22-9-7-21(4)8-10-22/h5-6,11,13H,7-10H2,1-4H3
InChIKeyIEVAOGQOBQCDHP-UHFFFAOYSA-N
MW333.87 g/mol
LogP3.35
Rot. Bonds1

About N-[6-chloro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine

N-[6-chloro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine (PubChem CID 88906086) has the molecular formula C17H24ClN5 and a molecular weight of 333.87 g/mol. Its IUPAC name is N-[6-chloro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine.

Molecular Properties

Compound NameN-[6-chloro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine
PubChem CID88906086
Molecular FormulaC17H24ClN5
Molecular Weight333.87 g/mol
Exact Mass333.17
IUPAC NameN-[6-chloro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine
SMILESCC(C)=NN1C(N2CCN(C)CC2)=Nc2ccc(Cl)cc2C1C
InChIInChI=1S/C17H24ClN5/c1-12(2)20-23-13(3)15-11-14(18)5-6-16(15)19-17(23)22-9-7-21(4)8-10-22/h5-6,11,13H,7-10H2,1-4H3
InChIKeyIEVAOGQOBQCDHP-UHFFFAOYSA-N
XLogP3.35
TPSA34.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.87
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[6-chloro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]-1-phenylpropan-2-imine
CID 88906226
N-[7-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine
CID 88906137
N-(6-ethenyl-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)propan-2-imine
CID 88906184
N-[4-butan-2-ylidene-7-chloro-2-(4-methylpiperazin-1-yl)quinazolin-3-yl]propan-2-imine
CID 143957753
(Z)-N-[6-chloro-5-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]ethanimine
CID 88906241
N-(2-chloro-7-fluoro-4-methyl-4H-quinazolin-3-yl)propan-2-imine
CID 89091218
14-chloro-10-methyl-7-(4-methylpiperazin-1-yl)-5,6-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2,4,7,12,14-hexaene
CID 123451297
14-chloro-10-methyl-7-(4-methylpiperazin-1-yl)-3-oxa-5-azatricyclo[9.4.0.02,6]pentadeca-1(11),2(6),4,7,12,14-hexaene
CID 90841400
8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine;hydrochloride
CID 138399673
14-chloro-4,10-dimethyl-7-(4-methylpiperazin-1-yl)-3-oxa-5-azatricyclo[9.4.0.02,6]pentadeca-1(11),2(6),4,7,12,14-hexaene
CID 123939887
5-chloro-2-(4-methylpiperazin-1-yl)benzoic acid
CID 12784710
CID 159628919
CID 159628919

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine?
The IUPAC name of N-[6-chloro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine (CID 88906086) is N-[6-chloro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine.
What is the SMILES notation for N-[6-chloro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine?
The canonical SMILES for N-[6-chloro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine is CC(C)=NN1C(N2CCN(C)CC2)=Nc2ccc(Cl)cc2C1C.
What is the InChIKey of N-[6-chloro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine?
The InChIKey is IEVAOGQOBQCDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN5/c1-12(2)20-23-13(3)15-11-14(18)5-6-16(15)19-17(23)22-9-7-21(4)8-10-22/h5-6,11,13H,7-10H2,1-4H3.
What are the key properties of N-[6-chloro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine?
N-[6-chloro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine has a molecular weight of 333.87 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine is sourced from PubChem (CID 88906086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).