10-chloro-6-ethyl-1-(morpholine-4-carbonyl)-3-phenyl-7H-pyrido[2,1-a]phthalazin-4-one

C25H24ClN3O3 — CID 19913682

IUPAC10-chloro-6-ethyl-1-(morpholine-4-carbonyl)-3-phenyl-7H-pyrido[2,1-a]phthalazin-4-one
SMILESCCN1Cc2ccc(Cl)cc2-c2c(C(=O)N3CCOCC3)cc(-c3ccccc3)c(=O)n21
InChIInChI=1S/C25H24ClN3O3/c1-2-28-16-18-8-9-19(26)14-20(18)23-22(24(30)27-10-12-32-13-11-27)15-21(25(31)29(23)28)17-6-4-3-5-7-17/h3-9,14-15H,2,10-13,16H2,1H3
InChIKeyVJISTGOHTGSYPX-UHFFFAOYSA-N
MW449.94 g/mol
LogP3.78
Rot. Bonds3

About 10-chloro-6-ethyl-1-(morpholine-4-carbonyl)-3-phenyl-7H-pyrido[2,1-a]phthalazin-4-one

10-chloro-6-ethyl-1-(morpholine-4-carbonyl)-3-phenyl-7H-pyrido[2,1-a]phthalazin-4-one (PubChem CID 19913682) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is 10-chloro-6-ethyl-1-(morpholine-4-carbonyl)-3-phenyl-7H-pyrido[2,1-a]phthalazin-4-one.

Molecular Properties

Compound Name10-chloro-6-ethyl-1-(morpholine-4-carbonyl)-3-phenyl-7H-pyrido[2,1-a]phthalazin-4-one
PubChem CID19913682
Molecular FormulaC25H24ClN3O3
Molecular Weight449.94 g/mol
Exact Mass449.15
IUPAC Name10-chloro-6-ethyl-1-(morpholine-4-carbonyl)-3-phenyl-7H-pyrido[2,1-a]phthalazin-4-one
SMILESCCN1Cc2ccc(Cl)cc2-c2c(C(=O)N3CCOCC3)cc(-c3ccccc3)c(=O)n21
InChIInChI=1S/C25H24ClN3O3/c1-2-28-16-18-8-9-19(26)14-20(18)23-22(24(30)27-10-12-32-13-11-27)15-21(25(31)29(23)28)17-6-4-3-5-7-17/h3-9,14-15H,2,10-13,16H2,1H3
InChIKeyVJISTGOHTGSYPX-UHFFFAOYSA-N
XLogP3.78
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-chloro-1-(morpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 14666721
10-chloro-1-[4-(hydroxymethyl)piperidine-1-carbonyl]-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 14770149
10-chloro-1-(2,6-dimethylmorpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 14666722
10-chloro-1-(4-methoxypiperidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 14770142
10-chloro-1-(3-hydroxypyrrolidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 10454840
[2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 1261463
5-(morpholine-4-carbonyl)-4-phenyl-1H-pyridin-2-one
CID 134211396
(2-amino-5-chlorophenyl)-morpholin-4-ylmethanone
CID 16776415
(5-chloro-2-iodophenyl)-morpholin-4-ylmethanone
CID 39710545
14-(morpholine-4-carbonyl)-12-phenyl-3,7-dithia-10-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,12-tetraen-11-one
CID 19020434
(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)methyl acetate
CID 14770154
2-[3-(morpholine-4-carbonyl)-4-phenylphenyl]acetamide
CID 69084346

Frequently Asked Questions

What is the IUPAC name of 10-chloro-6-ethyl-1-(morpholine-4-carbonyl)-3-phenyl-7H-pyrido[2,1-a]phthalazin-4-one?
The IUPAC name of 10-chloro-6-ethyl-1-(morpholine-4-carbonyl)-3-phenyl-7H-pyrido[2,1-a]phthalazin-4-one (CID 19913682) is 10-chloro-6-ethyl-1-(morpholine-4-carbonyl)-3-phenyl-7H-pyrido[2,1-a]phthalazin-4-one.
What is the SMILES notation for 10-chloro-6-ethyl-1-(morpholine-4-carbonyl)-3-phenyl-7H-pyrido[2,1-a]phthalazin-4-one?
The canonical SMILES for 10-chloro-6-ethyl-1-(morpholine-4-carbonyl)-3-phenyl-7H-pyrido[2,1-a]phthalazin-4-one is CCN1Cc2ccc(Cl)cc2-c2c(C(=O)N3CCOCC3)cc(-c3ccccc3)c(=O)n21.
What is the InChIKey of 10-chloro-6-ethyl-1-(morpholine-4-carbonyl)-3-phenyl-7H-pyrido[2,1-a]phthalazin-4-one?
The InChIKey is VJISTGOHTGSYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c1-2-28-16-18-8-9-19(26)14-20(18)23-22(24(30)27-10-12-32-13-11-27)15-21(25(31)29(23)28)17-6-4-3-5-7-17/h3-9,14-15H,2,10-13,16H2,1H3.
What are the key properties of 10-chloro-6-ethyl-1-(morpholine-4-carbonyl)-3-phenyl-7H-pyrido[2,1-a]phthalazin-4-one?
10-chloro-6-ethyl-1-(morpholine-4-carbonyl)-3-phenyl-7H-pyrido[2,1-a]phthalazin-4-one has a molecular weight of 449.94 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-6-ethyl-1-(morpholine-4-carbonyl)-3-phenyl-7H-pyrido[2,1-a]phthalazin-4-one is sourced from PubChem (CID 19913682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).