3-(benzylamino)-4-hydroxy-1,9-dihydropyrido[2,3-b]indol-2-one

C18H15N3O2 — CID 54708595

IUPAC3-(benzylamino)-4-hydroxy-1,9-dihydropyrido[2,3-b]indol-2-one
SMILESO=c1[nH]c2[nH]c3ccccc3c2c(O)c1NCc1ccccc1
InChIInChI=1S/C18H15N3O2/c22-16-14-12-8-4-5-9-13(12)20-17(14)21-18(23)15(16)19-10-11-6-2-1-3-7-11/h1-9,19H,10H2,(H3,20,21,22,23)
InChIKeyLNZKDINTCLHQDS-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.33
Rot. Bonds3

About 3-(benzylamino)-4-hydroxy-1,9-dihydropyrido[2,3-b]indol-2-one

3-(benzylamino)-4-hydroxy-1,9-dihydropyrido[2,3-b]indol-2-one (PubChem CID 54708595) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-(benzylamino)-4-hydroxy-1,9-dihydropyrido[2,3-b]indol-2-one.

Molecular Properties

Compound Name3-(benzylamino)-4-hydroxy-1,9-dihydropyrido[2,3-b]indol-2-one
PubChem CID54708595
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name3-(benzylamino)-4-hydroxy-1,9-dihydropyrido[2,3-b]indol-2-one
SMILESO=c1[nH]c2[nH]c3ccccc3c2c(O)c1NCc1ccccc1
InChIInChI=1S/C18H15N3O2/c22-16-14-12-8-4-5-9-13(12)20-17(14)21-18(23)15(16)19-10-11-6-2-1-3-7-11/h1-9,19H,10H2,(H3,20,21,22,23)
InChIKeyLNZKDINTCLHQDS-UHFFFAOYSA-N
XLogP3.33
TPSA80.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 138518193
N-(2-oxo-4-phenyl-1H-quinolin-3-yl)-2-phenylacetamide
CID 10689473
methyl 2-[2-(benzylamino)-1H-indol-3-yl]acetate
CID 57046316
(3E)-1-benzyl-3-[(3-hydroxy-1H-indol-2-yl)imino]thiourea
CID 135722668
6-amino-1-benzyl-5-(benzylamino)pyrimidine-2,4-dione
CID 2344558
(4-hydroxy-2-oxo-1H-quinolin-3-yl)carbamodithioic acid
CID 175845399
4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
CID 54706702
2-oxo-4-(3-phenylpropylamino)-1H-quinoline-3-carboxylic acid
CID 53349705
bis[4-(benzylamino)quinolin-3-yl]methanone
CID 154508571
4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 54697499
2-(benzylamino)-6-oxo-1H-pyrimidine-5-carbohydrazide
CID 100514526
N-benzyl-2-methyl-9H-pyrido[3,4-b]indol-2-ium-3-amine chloride
CID 51041251

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-4-hydroxy-1,9-dihydropyrido[2,3-b]indol-2-one?
The IUPAC name of 3-(benzylamino)-4-hydroxy-1,9-dihydropyrido[2,3-b]indol-2-one (CID 54708595) is 3-(benzylamino)-4-hydroxy-1,9-dihydropyrido[2,3-b]indol-2-one.
What is the SMILES notation for 3-(benzylamino)-4-hydroxy-1,9-dihydropyrido[2,3-b]indol-2-one?
The canonical SMILES for 3-(benzylamino)-4-hydroxy-1,9-dihydropyrido[2,3-b]indol-2-one is O=c1[nH]c2[nH]c3ccccc3c2c(O)c1NCc1ccccc1.
What is the InChIKey of 3-(benzylamino)-4-hydroxy-1,9-dihydropyrido[2,3-b]indol-2-one?
The InChIKey is LNZKDINTCLHQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-16-14-12-8-4-5-9-13(12)20-17(14)21-18(23)15(16)19-10-11-6-2-1-3-7-11/h1-9,19H,10H2,(H3,20,21,22,23).
What are the key properties of 3-(benzylamino)-4-hydroxy-1,9-dihydropyrido[2,3-b]indol-2-one?
3-(benzylamino)-4-hydroxy-1,9-dihydropyrido[2,3-b]indol-2-one has a molecular weight of 305.34 g/mol, XLogP of 3.33, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-4-hydroxy-1,9-dihydropyrido[2,3-b]indol-2-one is sourced from PubChem (CID 54708595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).