4-amino-3-(1H-benzimidazol-2-yl)-5-(1-methylpiperidin-3-yl)oxy-1H-quinolin-2-one

C22H23N5O2 — CID 135674167

IUPAC4-amino-3-(1H-benzimidazol-2-yl)-5-(1-methylpiperidin-3-yl)oxy-1H-quinolin-2-one
SMILESCN1CCCC(Oc2cccc3[nH]c(=O)c(-c4nc5ccccc5[nH]4)c(N)c23)C1
InChIInChI=1S/C22H23N5O2/c1-27-11-5-6-13(12-27)29-17-10-4-9-16-18(17)20(23)19(22(28)26-16)21-24-14-7-2-3-8-15(14)25-21/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,24,25)(H3,23,26,28)
InChIKeyCTUHJNJXPMROFF-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.13
Rot. Bonds3

About 4-amino-3-(1H-benzimidazol-2-yl)-5-(1-methylpiperidin-3-yl)oxy-1H-quinolin-2-one

4-amino-3-(1H-benzimidazol-2-yl)-5-(1-methylpiperidin-3-yl)oxy-1H-quinolin-2-one (PubChem CID 135674167) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-amino-3-(1H-benzimidazol-2-yl)-5-(1-methylpiperidin-3-yl)oxy-1H-quinolin-2-one.

Molecular Properties

Compound Name4-amino-3-(1H-benzimidazol-2-yl)-5-(1-methylpiperidin-3-yl)oxy-1H-quinolin-2-one
PubChem CID135674167
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name4-amino-3-(1H-benzimidazol-2-yl)-5-(1-methylpiperidin-3-yl)oxy-1H-quinolin-2-one
SMILESCN1CCCC(Oc2cccc3[nH]c(=O)c(-c4nc5ccccc5[nH]4)c(N)c23)C1
InChIInChI=1S/C22H23N5O2/c1-27-11-5-6-13(12-27)29-17-10-4-9-16-18(17)20(23)19(22(28)26-16)21-24-14-7-2-3-8-15(14)25-21/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,24,25)(H3,23,26,28)
InChIKeyCTUHJNJXPMROFF-UHFFFAOYSA-N
XLogP3.13
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Coumarin 7
CID 94381
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 724128
3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-{4-[(2-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-1H-1,3-benzodiazol-6-yl)oxy]phenyl}urea
CID 17755233
Benzimidazole-urea, 52
CID 17755861
5-{2-[4-(3H-Benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy}-2-methylquinoline
CID 10150796
4-Amino-2-(3-{2-ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]-benzoimidazol-1-yl}-propenyl)-phenol
CID 44274929
3-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]-benzoimidazol-1-yl}-2-methyl-propenyl)-phenylamine
CID 44274930
3-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]-benzoimidazol-1-yl}-propenyl)-phenylamine
CID 44274931
4-Amino-2-(3-{2-ethyl-6-[1-(1-imino-ethyl)-piperidin-4-yloxy]-benzoimidazol-1-yl}-propenyl)-phenol
CID 44275239
3-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-yloxy]-benzoimidazol-1-yl}-propenyl)-phenylamine
CID 44275249
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,4-dimethylphenoxy)acetamide
CID 698993
10-(1H-benzo[d]imidazol-2-yl)-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one
CID 1370828

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1H-benzimidazol-2-yl)-5-(1-methylpiperidin-3-yl)oxy-1H-quinolin-2-one?
The IUPAC name of 4-amino-3-(1H-benzimidazol-2-yl)-5-(1-methylpiperidin-3-yl)oxy-1H-quinolin-2-one (CID 135674167) is 4-amino-3-(1H-benzimidazol-2-yl)-5-(1-methylpiperidin-3-yl)oxy-1H-quinolin-2-one.
What is the SMILES notation for 4-amino-3-(1H-benzimidazol-2-yl)-5-(1-methylpiperidin-3-yl)oxy-1H-quinolin-2-one?
The canonical SMILES for 4-amino-3-(1H-benzimidazol-2-yl)-5-(1-methylpiperidin-3-yl)oxy-1H-quinolin-2-one is CN1CCCC(Oc2cccc3[nH]c(=O)c(-c4nc5ccccc5[nH]4)c(N)c23)C1.
What is the InChIKey of 4-amino-3-(1H-benzimidazol-2-yl)-5-(1-methylpiperidin-3-yl)oxy-1H-quinolin-2-one?
The InChIKey is CTUHJNJXPMROFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-27-11-5-6-13(12-27)29-17-10-4-9-16-18(17)20(23)19(22(28)26-16)21-24-14-7-2-3-8-15(14)25-21/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,24,25)(H3,23,26,28).
What are the key properties of 4-amino-3-(1H-benzimidazol-2-yl)-5-(1-methylpiperidin-3-yl)oxy-1H-quinolin-2-one?
4-amino-3-(1H-benzimidazol-2-yl)-5-(1-methylpiperidin-3-yl)oxy-1H-quinolin-2-one has a molecular weight of 389.46 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1H-benzimidazol-2-yl)-5-(1-methylpiperidin-3-yl)oxy-1H-quinolin-2-one is sourced from PubChem (CID 135674167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).