3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1H-quinolin-2-one

C20H20N4O — CID 147955054

IUPAC3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1H-quinolin-2-one
SMILESCCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)[nH]c2c1
InChIInChI=1S/C20H20N4O/c1-3-24(4-2)14-10-9-13-11-15(20(25)23-18(13)12-14)19-21-16-7-5-6-8-17(16)22-19/h5-12H,3-4H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyIOJDBBDGNJQULO-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.92
Rot. Bonds4

About 3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1H-quinolin-2-one

3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1H-quinolin-2-one (PubChem CID 147955054) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1H-quinolin-2-one
PubChem CID147955054
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1H-quinolin-2-one
SMILESCCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)[nH]c2c1
InChIInChI=1S/C20H20N4O/c1-3-24(4-2)14-10-9-13-11-15(20(25)23-18(13)12-14)19-21-16-7-5-6-8-17(16)22-19/h5-12H,3-4H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyIOJDBBDGNJQULO-UHFFFAOYSA-N
XLogP3.92
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-benzimidazol-2-yl)-N,N-diethyl-3-methylaniline
CID 168554266
3-(1H-benzimidazol-2-yl)-7-fluoro-6-iodo-1H-quinolin-2-one
CID 172707938
3-(1H-benzimidazol-2-yl)-7-(diethylamino)chromen-2-one;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one
CID 146405991
3-(1H-benzimidazol-2-yl)-N,N-diethyl-2-(4-iodophenyl)iminochromen-7-amine
CID 102431222
3-(1H-benzimidazol-2-yl)-6-fluoro-7-(2-methylpropylamino)-1H-quinolin-2-one
CID 172767226
3-(1H-benzimidazol-2-yl)-7-[bis(prop-2-enyl)amino]chromen-2-one
CID 88718489
5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one
CID 135834134
3-(1H-benzimidazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-1H-quinolin-2-one
CID 142670740
3-[[3-(1H-benzimidazol-2-yl)-2-iminochromen-7-yl]-ethylamino]propanoic acid
CID 10959752
3-(1H-benzimidazol-2-ylamino)-7-(diethylamino)chromen-2-one
CID 54453856
3-(1H-benzimidazol-2-yl)-7-[di(propan-2-yl)amino]chromen-2-one
CID 142605433
ethyl (E)-3-[4-(diethylamino)-2-methoxyphenyl]-2-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoate
CID 101001380

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1H-quinolin-2-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1H-quinolin-2-one (CID 147955054) is 3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1H-quinolin-2-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1H-quinolin-2-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1H-quinolin-2-one is CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)[nH]c2c1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1H-quinolin-2-one?
The InChIKey is IOJDBBDGNJQULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-3-24(4-2)14-10-9-13-11-15(20(25)23-18(13)12-14)19-21-16-7-5-6-8-17(16)22-19/h5-12H,3-4H2,1-2H3,(H,21,22)(H,23,25).
What are the key properties of 3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1H-quinolin-2-one?
3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1H-quinolin-2-one has a molecular weight of 332.41 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1H-quinolin-2-one is sourced from PubChem (CID 147955054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).