N-[2-(4-amino-2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]-2-(dimethylamino)-N-methylacetamide

C21H22N6O2 — CID 135926104

IUPACN-[2-(4-amino-2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]-2-(dimethylamino)-N-methylacetamide
SMILESCN(C)CC(=O)N(C)c1ccc2nc(-c3c(N)c4ccccc4[nH]c3=O)[nH]c2c1
InChIInChI=1S/C21H22N6O2/c1-26(2)11-17(28)27(3)12-8-9-15-16(10-12)24-20(23-15)18-19(22)13-6-4-5-7-14(13)25-21(18)29/h4-10H,11H2,1-3H3,(H,23,24)(H3,22,25,29)
InChIKeyWNVADWMUVOLRPY-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.18
Rot. Bonds4

About N-[2-(4-amino-2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]-2-(dimethylamino)-N-methylacetamide

N-[2-(4-amino-2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]-2-(dimethylamino)-N-methylacetamide (PubChem CID 135926104) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[2-(4-amino-2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]-2-(dimethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(4-amino-2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]-2-(dimethylamino)-N-methylacetamide
PubChem CID135926104
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-[2-(4-amino-2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]-2-(dimethylamino)-N-methylacetamide
SMILESCN(C)CC(=O)N(C)c1ccc2nc(-c3c(N)c4ccccc4[nH]c3=O)[nH]c2c1
InChIInChI=1S/C21H22N6O2/c1-26(2)11-17(28)27(3)12-8-9-15-16(10-12)24-20(23-15)18-19(22)13-6-4-5-7-14(13)25-21(18)29/h4-10H,11H2,1-3H3,(H,23,24)(H3,22,25,29)
InChIKeyWNVADWMUVOLRPY-UHFFFAOYSA-N
XLogP2.18
TPSA111.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]-2-(dimethylamino)-N-methylacetamide?
The IUPAC name of N-[2-(4-amino-2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]-2-(dimethylamino)-N-methylacetamide (CID 135926104) is N-[2-(4-amino-2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]-2-(dimethylamino)-N-methylacetamide.
What is the SMILES notation for N-[2-(4-amino-2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]-2-(dimethylamino)-N-methylacetamide?
The canonical SMILES for N-[2-(4-amino-2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]-2-(dimethylamino)-N-methylacetamide is CN(C)CC(=O)N(C)c1ccc2nc(-c3c(N)c4ccccc4[nH]c3=O)[nH]c2c1.
What is the InChIKey of N-[2-(4-amino-2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]-2-(dimethylamino)-N-methylacetamide?
The InChIKey is WNVADWMUVOLRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-26(2)11-17(28)27(3)12-8-9-15-16(10-12)24-20(23-15)18-19(22)13-6-4-5-7-14(13)25-21(18)29/h4-10H,11H2,1-3H3,(H,23,24)(H3,22,25,29).
What are the key properties of N-[2-(4-amino-2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]-2-(dimethylamino)-N-methylacetamide?
N-[2-(4-amino-2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]-2-(dimethylamino)-N-methylacetamide has a molecular weight of 390.45 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]-2-(dimethylamino)-N-methylacetamide is sourced from PubChem (CID 135926104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).