3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(morpholine-4-carbonyl)pyridazino[4,5-b]indol-4-one

C23H21ClN4O4 — CID 20858123

IUPAC3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(morpholine-4-carbonyl)pyridazino[4,5-b]indol-4-one
SMILESCOc1ccc(-n2nc(C(=O)N3CCOCC3)c3c4ccccc4n(C)c3c2=O)cc1Cl
InChIInChI=1S/C23H21ClN4O4/c1-26-17-6-4-3-5-15(17)19-20(22(29)27-9-11-32-12-10-27)25-28(23(30)21(19)26)14-7-8-18(31-2)16(24)13-14/h3-8,13H,9-12H2,1-2H3
InChIKeyHWGOEBBUSNDNMW-UHFFFAOYSA-N
MW452.90 g/mol
LogP3.01
Rot. Bonds3

About 3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(morpholine-4-carbonyl)pyridazino[4,5-b]indol-4-one

3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(morpholine-4-carbonyl)pyridazino[4,5-b]indol-4-one (PubChem CID 20858123) has the molecular formula C23H21ClN4O4 and a molecular weight of 452.90 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(morpholine-4-carbonyl)pyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(morpholine-4-carbonyl)pyridazino[4,5-b]indol-4-one
PubChem CID20858123
Molecular FormulaC23H21ClN4O4
Molecular Weight452.90 g/mol
Exact Mass452.13
IUPAC Name3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(morpholine-4-carbonyl)pyridazino[4,5-b]indol-4-one
SMILESCOc1ccc(-n2nc(C(=O)N3CCOCC3)c3c4ccccc4n(C)c3c2=O)cc1Cl
InChIInChI=1S/C23H21ClN4O4/c1-26-17-6-4-3-5-15(17)19-20(22(29)27-9-11-32-12-10-27)25-28(23(30)21(19)26)14-7-8-18(31-2)16(24)13-14/h3-8,13H,9-12H2,1-2H3
InChIKeyHWGOEBBUSNDNMW-UHFFFAOYSA-N
XLogP3.01
TPSA78.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.90
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(morpholine-4-carbonyl)pyridazino[4,5-b]indol-4-one?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(morpholine-4-carbonyl)pyridazino[4,5-b]indol-4-one (CID 20858123) is 3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(morpholine-4-carbonyl)pyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(morpholine-4-carbonyl)pyridazino[4,5-b]indol-4-one?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(morpholine-4-carbonyl)pyridazino[4,5-b]indol-4-one is COc1ccc(-n2nc(C(=O)N3CCOCC3)c3c4ccccc4n(C)c3c2=O)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(morpholine-4-carbonyl)pyridazino[4,5-b]indol-4-one?
The InChIKey is HWGOEBBUSNDNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O4/c1-26-17-6-4-3-5-15(17)19-20(22(29)27-9-11-32-12-10-27)25-28(23(30)21(19)26)14-7-8-18(31-2)16(24)13-14/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(morpholine-4-carbonyl)pyridazino[4,5-b]indol-4-one?
3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(morpholine-4-carbonyl)pyridazino[4,5-b]indol-4-one has a molecular weight of 452.90 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(morpholine-4-carbonyl)pyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 20858123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).