4-amino-5-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one

C22H24N6O — CID 135926113

IUPAC4-amino-5-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
SMILESCc1cccc2[nH]c(=O)c(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)c(N)c12
InChIInChI=1S/C22H24N6O/c1-13-4-3-5-16-18(13)20(23)19(22(29)26-16)21-24-15-7-6-14(12-17(15)25-21)28-10-8-27(2)9-11-28/h3-7,12H,8-11H2,1-2H3,(H,24,25)(H3,23,26,29)
InChIKeyJJNUVTXMRDPOPO-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.71
Rot. Bonds2

About 4-amino-5-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one

4-amino-5-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one (PubChem CID 135926113) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 4-amino-5-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-amino-5-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
PubChem CID135926113
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name4-amino-5-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
SMILESCc1cccc2[nH]c(=O)c(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)c(N)c12
InChIInChI=1S/C22H24N6O/c1-13-4-3-5-16-18(13)20(23)19(22(29)26-16)21-24-15-7-6-14(12-17(15)25-21)28-10-8-27(2)9-11-28/h3-7,12H,8-11H2,1-2H3,(H,24,25)(H3,23,26,29)
InChIKeyJJNUVTXMRDPOPO-UHFFFAOYSA-N
XLogP2.71
TPSA94.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 4-amino-5-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one (CID 135926113) is 4-amino-5-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 4-amino-5-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 4-amino-5-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one is Cc1cccc2[nH]c(=O)c(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)c(N)c12.
What is the InChIKey of 4-amino-5-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
The InChIKey is JJNUVTXMRDPOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-13-4-3-5-16-18(13)20(23)19(22(29)26-16)21-24-15-7-6-14(12-17(15)25-21)28-10-8-27(2)9-11-28/h3-7,12H,8-11H2,1-2H3,(H,24,25)(H3,23,26,29).
What are the key properties of 4-amino-5-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
4-amino-5-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one has a molecular weight of 388.48 g/mol, XLogP of 2.71, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 135926113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).