6-chloro-2-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-4H-quinazoline

C22H27ClN4 — CID 54757807

IUPAC6-chloro-2-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-4H-quinazoline
SMILESCC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1CCN1CCN(C)CC1
InChIInChI=1S/C22H27ClN4/c1-17-24-21-9-8-19(23)16-20(21)22(18-6-4-3-5-7-18)27(17)15-14-26-12-10-25(2)11-13-26/h3-9,16,22H,10-15H2,1-2H3
InChIKeyMKMVBGHBAXVMGI-UHFFFAOYSA-N
MW382.94 g/mol
LogP4.04
Rot. Bonds4

About 6-chloro-2-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-4H-quinazoline

6-chloro-2-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-4H-quinazoline (PubChem CID 54757807) has the molecular formula C22H27ClN4 and a molecular weight of 382.94 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-4H-quinazoline.

Molecular Properties

Compound Name6-chloro-2-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-4H-quinazoline
PubChem CID54757807
Molecular FormulaC22H27ClN4
Molecular Weight382.94 g/mol
Exact Mass382.19
IUPAC Name6-chloro-2-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-4H-quinazoline
SMILESCC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1CCN1CCN(C)CC1
InChIInChI=1S/C22H27ClN4/c1-17-24-21-9-8-19(23)16-20(21)22(18-6-4-3-5-7-18)27(17)15-14-26-12-10-25(2)11-13-26/h3-9,16,22H,10-15H2,1-2H3
InChIKeyMKMVBGHBAXVMGI-UHFFFAOYSA-N
XLogP4.04
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.94
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-5-Ethyl-8-Fluoro-11-(4-Methylpiperazin-1-Yl)-Dibenzodiazepine
CID 91808045
2-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline
CID 46905532
3-[6-chloro-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]-N,N-dimethylpropan-1-amine
CID 54669774
6-chloro-4-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline
CID 54756883
6-chloro-2-methyl-4-(4-methylphenyl)-3-(2-piperidin-1-ylethyl)-4H-quinazoline
CID 54756886
3-benzyl-6-chloro-2-methyl-4-phenyl-4H-quinazoline
CID 54757706
6-chloro-3-[(2-fluorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline
CID 54757709
3-[(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)methyl]-N,N-dimethylaniline
CID 54757712
3-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylpropan-1-amine
CID 54757898
N-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]-2-(dimethylamino)acetamide
CID 54757999
1-[4-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]piperazin-1-yl]-2-(dimethylamino)ethanone
CID 54758096
2-methyl-4-phenyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline
CID 54758181

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-4H-quinazoline?
The IUPAC name of 6-chloro-2-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-4H-quinazoline (CID 54757807) is 6-chloro-2-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-4H-quinazoline.
What is the SMILES notation for 6-chloro-2-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-4H-quinazoline?
The canonical SMILES for 6-chloro-2-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-4H-quinazoline is CC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1CCN1CCN(C)CC1.
What is the InChIKey of 6-chloro-2-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-4H-quinazoline?
The InChIKey is MKMVBGHBAXVMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4/c1-17-24-21-9-8-19(23)16-20(21)22(18-6-4-3-5-7-18)27(17)15-14-26-12-10-25(2)11-13-26/h3-9,16,22H,10-15H2,1-2H3.
What are the key properties of 6-chloro-2-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-4H-quinazoline?
6-chloro-2-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-4H-quinazoline has a molecular weight of 382.94 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-4H-quinazoline is sourced from PubChem (CID 54757807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).