1-naphthalen-2-yl-3,5-dihydropyridazino[4,5-b]indol-4-one

C20H13N3O — CID 135900483

IUPAC1-naphthalen-2-yl-3,5-dihydropyridazino[4,5-b]indol-4-one
SMILESO=c1[nH]nc(-c2ccc3ccccc3c2)c2c1[nH]c1ccccc12
InChIInChI=1S/C20H13N3O/c24-20-19-17(15-7-3-4-8-16(15)21-19)18(22-23-20)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,21H,(H,23,24)
InChIKeyFTVDAALOROYEML-UHFFFAOYSA-N
MW311.34 g/mol
LogP4.22
Rot. Bonds1

About 1-naphthalen-2-yl-3,5-dihydropyridazino[4,5-b]indol-4-one

1-naphthalen-2-yl-3,5-dihydropyridazino[4,5-b]indol-4-one (PubChem CID 135900483) has the molecular formula C20H13N3O and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-naphthalen-2-yl-3,5-dihydropyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name1-naphthalen-2-yl-3,5-dihydropyridazino[4,5-b]indol-4-one
PubChem CID135900483
Molecular FormulaC20H13N3O
Molecular Weight311.34 g/mol
Exact Mass311.11
IUPAC Name1-naphthalen-2-yl-3,5-dihydropyridazino[4,5-b]indol-4-one
SMILESO=c1[nH]nc(-c2ccc3ccccc3c2)c2c1[nH]c1ccccc12
InChIInChI=1S/C20H13N3O/c24-20-19-17(15-7-3-4-8-16(15)21-19)18(22-23-20)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,21H,(H,23,24)
InChIKeyFTVDAALOROYEML-UHFFFAOYSA-N
XLogP4.22
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 91398719
(1-naphthalen-2-yl-9H-pyrido[3,4-b]indol-3-yl)methanol
CID 72946438
3-phenyl-1,5-dihydropyrazolo[4,5-c]quinolin-4-one
CID 136740229
4-quinoxalin-2-yl-2,5-dihydropyridazino[4,5-b]indol-1-one
CID 135900468
19-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 166703060
4-quinolin-7-yl-2H-phthalazin-1-one
CID 106519755
3,12,14,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-13-one
CID 10638837
4-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid
CID 22260698
3,6-dinaphthalen-2-yl-9H-carbazole
CID 86019382
4-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide
CID 70955745
10-naphthalen-2-yl-7H-benzo[c]carbazole
CID 144640313
4-phenyl-2,5-dihydropyridazino[4,5-b]indole-1-thione
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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-3,5-dihydropyridazino[4,5-b]indol-4-one?
The IUPAC name of 1-naphthalen-2-yl-3,5-dihydropyridazino[4,5-b]indol-4-one (CID 135900483) is 1-naphthalen-2-yl-3,5-dihydropyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 1-naphthalen-2-yl-3,5-dihydropyridazino[4,5-b]indol-4-one?
The canonical SMILES for 1-naphthalen-2-yl-3,5-dihydropyridazino[4,5-b]indol-4-one is O=c1[nH]nc(-c2ccc3ccccc3c2)c2c1[nH]c1ccccc12.
What is the InChIKey of 1-naphthalen-2-yl-3,5-dihydropyridazino[4,5-b]indol-4-one?
The InChIKey is FTVDAALOROYEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O/c24-20-19-17(15-7-3-4-8-16(15)21-19)18(22-23-20)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,21H,(H,23,24).
What are the key properties of 1-naphthalen-2-yl-3,5-dihydropyridazino[4,5-b]indol-4-one?
1-naphthalen-2-yl-3,5-dihydropyridazino[4,5-b]indol-4-one has a molecular weight of 311.34 g/mol, XLogP of 4.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-3,5-dihydropyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 135900483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).