6-(4-oxo-3H-phthalazin-1-yl)-4-propyl-1,4-benzoxazin-3-one

C19H17N3O3 — CID 1480553

IUPAC6-(4-oxo-3H-phthalazin-1-yl)-4-propyl-1,4-benzoxazin-3-one
SMILESCCCN1C(=O)COc2ccc(-c3n[nH]c(=O)c4ccccc34)cc21
InChIInChI=1S/C19H17N3O3/c1-2-9-22-15-10-12(7-8-16(15)25-11-17(22)23)18-13-5-3-4-6-14(13)19(24)21-20-18/h3-8,10H,2,9,11H2,1H3,(H,21,24)
InChIKeySIADBZUEMHFNRL-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.73
Rot. Bonds3

About 6-(4-oxo-3H-phthalazin-1-yl)-4-propyl-1,4-benzoxazin-3-one

6-(4-oxo-3H-phthalazin-1-yl)-4-propyl-1,4-benzoxazin-3-one (PubChem CID 1480553) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 6-(4-oxo-3H-phthalazin-1-yl)-4-propyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(4-oxo-3H-phthalazin-1-yl)-4-propyl-1,4-benzoxazin-3-one
PubChem CID1480553
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name6-(4-oxo-3H-phthalazin-1-yl)-4-propyl-1,4-benzoxazin-3-one
SMILESCCCN1C(=O)COc2ccc(-c3n[nH]c(=O)c4ccccc34)cc21
InChIInChI=1S/C19H17N3O3/c1-2-9-22-15-10-12(7-8-16(15)25-11-17(22)23)18-13-5-3-4-6-14(13)19(24)21-20-18/h3-8,10H,2,9,11H2,1H3,(H,21,24)
InChIKeySIADBZUEMHFNRL-UHFFFAOYSA-N
XLogP2.73
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4-oxo-3H-phthalazin-1-yl)-4-propyl-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 758934
4-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one
CID 15599439
1-[2-methoxy-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]pyrrolidine-2,5-dione
CID 44402122
2-Methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]phthalazin-1-one
CID 56682288
N-[3-[1-[3-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 57399487
6-(4-benzylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 17456290
N-[2-methoxy-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]butanamide
CID 662701
N-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]propanamide
CID 751867
2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1291720
N-(2,4-dimethylphenyl)-2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetamide
CID 1292084
N-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 1314910
6-(4-oxo-3,4-dihydro-1-phthalazinyl)-2H-1,4-benzoxazin-3(4H)-one
CID 1472681

Frequently Asked Questions

What is the IUPAC name of 6-(4-oxo-3H-phthalazin-1-yl)-4-propyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-(4-oxo-3H-phthalazin-1-yl)-4-propyl-1,4-benzoxazin-3-one (CID 1480553) is 6-(4-oxo-3H-phthalazin-1-yl)-4-propyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(4-oxo-3H-phthalazin-1-yl)-4-propyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(4-oxo-3H-phthalazin-1-yl)-4-propyl-1,4-benzoxazin-3-one is CCCN1C(=O)COc2ccc(-c3n[nH]c(=O)c4ccccc34)cc21.
What is the InChIKey of 6-(4-oxo-3H-phthalazin-1-yl)-4-propyl-1,4-benzoxazin-3-one?
The InChIKey is SIADBZUEMHFNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-2-9-22-15-10-12(7-8-16(15)25-11-17(22)23)18-13-5-3-4-6-14(13)19(24)21-20-18/h3-8,10H,2,9,11H2,1H3,(H,21,24).
What are the key properties of 6-(4-oxo-3H-phthalazin-1-yl)-4-propyl-1,4-benzoxazin-3-one?
6-(4-oxo-3H-phthalazin-1-yl)-4-propyl-1,4-benzoxazin-3-one has a molecular weight of 335.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-oxo-3H-phthalazin-1-yl)-4-propyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 1480553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).