1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1H-benzimidazol-2-yl)methyl]-3-methylpiperazin-2-one

C22H22ClN7O — CID 69025109

IUPAC1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1H-benzimidazol-2-yl)methyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)N(Cc2ccc3c(N)ncnc3c2)CCN1Cc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C22H22ClN7O/c1-13-22(31)30(10-14-2-4-16-18(8-14)25-12-26-21(16)24)7-6-29(13)11-20-27-17-5-3-15(23)9-19(17)28-20/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,27,28)(H2,24,25,26)
InChIKeyZLHXWILVUVCHFU-UHFFFAOYSA-N
MW435.92 g/mol
LogP2.97
Rot. Bonds4

About 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1H-benzimidazol-2-yl)methyl]-3-methylpiperazin-2-one

1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1H-benzimidazol-2-yl)methyl]-3-methylpiperazin-2-one (PubChem CID 69025109) has the molecular formula C22H22ClN7O and a molecular weight of 435.92 g/mol. Its IUPAC name is 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1H-benzimidazol-2-yl)methyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1H-benzimidazol-2-yl)methyl]-3-methylpiperazin-2-one
PubChem CID69025109
Molecular FormulaC22H22ClN7O
Molecular Weight435.92 g/mol
Exact Mass435.16
IUPAC Name1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1H-benzimidazol-2-yl)methyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)N(Cc2ccc3c(N)ncnc3c2)CCN1Cc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C22H22ClN7O/c1-13-22(31)30(10-14-2-4-16-18(8-14)25-12-26-21(16)24)7-6-29(13)11-20-27-17-5-3-15(23)9-19(17)28-20/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,27,28)(H2,24,25,26)
InChIKeyZLHXWILVUVCHFU-UHFFFAOYSA-N
XLogP2.97
TPSA104.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1H-benzimidazol-2-yl)methyl]-3-methylpiperazin-2-one 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

(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloronaphthalen-2-yl)methyl]-3-methylpiperazin-2-one
CID 54143172
(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-4-[(3-chloro-1H-indol-6-yl)methyl]-3-methylpiperazin-2-one
CID 54160235
1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1H-benzimidazol-2-yl)sulfonyl]piperazin-2-one
CID 10027758
(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-4-(6-chloro-1-benzothiophene-2-carbonyl)-3-methylpiperazin-2-one
CID 54117126
(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-3-benzyl-4-[(6-chloro-1-benzothiophen-2-yl)methyl]piperazin-2-one
CID 54421385
(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-4-[[5-(5-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-3-methylpiperazin-2-one;bis(2,2,2-trifluoroacetic acid)
CID 158631002
(3S)-3-amino-1-[(4-aminoquinazolin-7-yl)methyl]pyrrolidin-2-one;hydrochloride
CID 20680716
(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-4-[3-(5-chlorothiophen-2-yl)prop-2-enyl]-3-ethylpiperazin-2-one
CID 54470512
(5-chlorothiophen-2-yl) (2S)-4-[(4-aminoquinazolin-7-yl)methyl]-2-methyl-3-oxopiperazine-1-carboxylate
CID 139904196
4-[(3-acetyl-5-chloro-1H-indol-2-yl)methyl]-1-[(4-aminoquinazolin-7-yl)methyl]piperazin-2-one
CID 67014204
(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-4-[3-(4-chlorophenyl)prop-2-enoyl]-3-(methoxymethyl)piperazin-2-one
CID 54008677
(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-4-[3-(5-chlorothiophen-2-yl)prop-2-enoyl]-3-(hydroxymethyl)piperazin-2-one
CID 67014427

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1H-benzimidazol-2-yl)methyl]-3-methylpiperazin-2-one?
The IUPAC name of 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1H-benzimidazol-2-yl)methyl]-3-methylpiperazin-2-one (CID 69025109) is 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1H-benzimidazol-2-yl)methyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1H-benzimidazol-2-yl)methyl]-3-methylpiperazin-2-one?
The canonical SMILES for 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1H-benzimidazol-2-yl)methyl]-3-methylpiperazin-2-one is CC1C(=O)N(Cc2ccc3c(N)ncnc3c2)CCN1Cc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1H-benzimidazol-2-yl)methyl]-3-methylpiperazin-2-one?
The InChIKey is ZLHXWILVUVCHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN7O/c1-13-22(31)30(10-14-2-4-16-18(8-14)25-12-26-21(16)24)7-6-29(13)11-20-27-17-5-3-15(23)9-19(17)28-20/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,27,28)(H2,24,25,26).
What are the key properties of 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1H-benzimidazol-2-yl)methyl]-3-methylpiperazin-2-one?
1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1H-benzimidazol-2-yl)methyl]-3-methylpiperazin-2-one has a molecular weight of 435.92 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1H-benzimidazol-2-yl)methyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 69025109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).