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

C22H23N5O3 — CID 135674142

IUPAC4-amino-3-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
SMILESNc1c(-c2nc3ccc(OCCN4CCOCC4)cc3[nH]2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C22H23N5O3/c23-20-15-3-1-2-4-16(15)26-22(28)19(20)21-24-17-6-5-14(13-18(17)25-21)30-12-9-27-7-10-29-11-8-27/h1-6,13H,7-12H2,(H,24,25)(H3,23,26,28)
InChIKeyMVKVCQNFFRDQDJ-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.36
Rot. Bonds5

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

4-amino-3-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one (PubChem CID 135674142) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 4-amino-3-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-amino-3-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
PubChem CID135674142
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name4-amino-3-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
SMILESNc1c(-c2nc3ccc(OCCN4CCOCC4)cc3[nH]2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C22H23N5O3/c23-20-15-3-1-2-4-16(15)26-22(28)19(20)21-24-17-6-5-14(13-18(17)25-21)30-12-9-27-7-10-29-11-8-27/h1-6,13H,7-12H2,(H,24,25)(H3,23,26,28)
InChIKeyMVKVCQNFFRDQDJ-UHFFFAOYSA-N
XLogP2.36
TPSA109.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-3-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one with MolForge

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Related Compounds

Coumarin 7
CID 94381
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 724128
6-methoxy-2-[(4-phenoxyphenyl)methyl]-1H-benzimidazole
CID 9797585
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
4-amino-3-(1H-benzimidazol-2-yl)-5-(1-methylpiperidin-3-yl)oxy-1H-quinolin-2-one
CID 135674167
N-benzyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 1387415
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
3-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-yloxy]-benzoimidazol-1-yl}-propenyl)-phenylamine
CID 44275249
3-{1-(7-Carbamimidoyl-naphthalen-2-ylmethyl)-6-[1-(1-imino-ethyl)-piperidin-4-yloxy]-1H-benzoimidazol-2-yl}-propionamide
CID 44386102
5-Ethoxy-2-phenyl-1H-benzoimidazole
CID 648054

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 4-amino-3-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one (CID 135674142) is 4-amino-3-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 4-amino-3-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 4-amino-3-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one is Nc1c(-c2nc3ccc(OCCN4CCOCC4)cc3[nH]2)c(=O)[nH]c2ccccc12.
What is the InChIKey of 4-amino-3-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
The InChIKey is MVKVCQNFFRDQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c23-20-15-3-1-2-4-16(15)26-22(28)19(20)21-24-17-6-5-14(13-18(17)25-21)30-12-9-27-7-10-29-11-8-27/h1-6,13H,7-12H2,(H,24,25)(H3,23,26,28).
What are the key properties of 4-amino-3-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
4-amino-3-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one has a molecular weight of 405.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 135674142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).