4-amino-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one

C22H22N6O2 — CID 135674144

IUPAC4-amino-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
SMILESCN1CCN(C(=O)c2ccc3nc(-c4c(N)c5ccccc5[nH]c4=O)[nH]c3c2)CC1
InChIInChI=1S/C22H22N6O2/c1-27-8-10-28(11-9-27)22(30)13-6-7-16-17(12-13)25-20(24-16)18-19(23)14-4-2-3-5-15(14)26-21(18)29/h2-7,12H,8-11H2,1H3,(H,24,25)(H3,23,26,29)
InChIKeyXALOFLMEUAMOLD-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.04
Rot. Bonds2

About 4-amino-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one

4-amino-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one (PubChem CID 135674144) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 4-amino-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-amino-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
PubChem CID135674144
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name4-amino-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
SMILESCN1CCN(C(=O)c2ccc3nc(-c4c(N)c5ccccc5[nH]c4=O)[nH]c3c2)CC1
InChIInChI=1S/C22H22N6O2/c1-27-8-10-28(11-9-27)22(30)13-6-7-16-17(12-13)25-20(24-16)18-19(23)14-4-2-3-5-15(14)26-21(18)29/h2-7,12H,8-11H2,1H3,(H,24,25)(H3,23,26,29)
InChIKeyXALOFLMEUAMOLD-UHFFFAOYSA-N
XLogP2.04
TPSA111.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 4-amino-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one (CID 135674144) is 4-amino-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 4-amino-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 4-amino-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one is CN1CCN(C(=O)c2ccc3nc(-c4c(N)c5ccccc5[nH]c4=O)[nH]c3c2)CC1.
What is the InChIKey of 4-amino-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
The InChIKey is XALOFLMEUAMOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-27-8-10-28(11-9-27)22(30)13-6-7-16-17(12-13)25-20(24-16)18-19(23)14-4-2-3-5-15(14)26-21(18)29/h2-7,12H,8-11H2,1H3,(H,24,25)(H3,23,26,29).
What are the key properties of 4-amino-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
4-amino-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one has a molecular weight of 402.46 g/mol, XLogP of 2.04, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 135674144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).