2-[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1-oxophthalazin-2-yl]acetic acid

C16H22N4O3 — CID 175639225

IUPAC2-[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1-oxophthalazin-2-yl]acetic acid
SMILESCc1ccc2c(=O)n(CC(=O)O)nc(N(C)CCN(C)C)c2c1
InChIInChI=1S/C16H22N4O3/c1-11-5-6-12-13(9-11)15(19(4)8-7-18(2)3)17-20(16(12)23)10-14(21)22/h5-6,9H,7-8,10H2,1-4H3,(H,21,22)
InChIKeySNHKDVLWDNLFOZ-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.79
Rot. Bonds6

About 2-[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1-oxophthalazin-2-yl]acetic acid

2-[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1-oxophthalazin-2-yl]acetic acid (PubChem CID 175639225) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1-oxophthalazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1-oxophthalazin-2-yl]acetic acid
PubChem CID175639225
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name2-[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1-oxophthalazin-2-yl]acetic acid
SMILESCc1ccc2c(=O)n(CC(=O)O)nc(N(C)CCN(C)C)c2c1
InChIInChI=1S/C16H22N4O3/c1-11-5-6-12-13(9-11)15(19(4)8-7-18(2)3)17-20(16(12)23)10-14(21)22/h5-6,9H,7-8,10H2,1-4H3,(H,21,22)
InChIKeySNHKDVLWDNLFOZ-UHFFFAOYSA-N
XLogP0.79
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-chloro-4-(dimethylamino)-1-oxophthalazin-2-yl]acetic acid
CID 166097046
2-(7-methyl-1-oxophthalazin-2-yl)acetic acid
CID 125455649
2-(3-iodo-5-methylindazol-1-yl)acetic acid
CID 71223562
4-methyl-2-(2-oxopropyl)phthalazin-1-one
CID 58973560
2-[6-(2-fluoropropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]acetic acid
CID 162364096
N-[(1S)-1-cyclobutylethyl]-2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide
CID 170370128
2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid
CID 6625489
2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-(2-methylpyrazol-3-yl)acetamide
CID 170368979
2-(6-cyclobutyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetic acid
CID 162363887
2-(5,8-dimethyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetic acid
CID 59004239
3-(7-methyl-4-oxoquinazolin-3-yl)propanoic acid
CID 117264503
ethyl 2-[7-chloro-4-(dimethylamino)-1-oxophthalazin-2-yl]acetate
CID 171770484

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1-oxophthalazin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1-oxophthalazin-2-yl]acetic acid (CID 175639225) is 2-[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1-oxophthalazin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1-oxophthalazin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1-oxophthalazin-2-yl]acetic acid is Cc1ccc2c(=O)n(CC(=O)O)nc(N(C)CCN(C)C)c2c1.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1-oxophthalazin-2-yl]acetic acid?
The InChIKey is SNHKDVLWDNLFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-11-5-6-12-13(9-11)15(19(4)8-7-18(2)3)17-20(16(12)23)10-14(21)22/h5-6,9H,7-8,10H2,1-4H3,(H,21,22).
What are the key properties of 2-[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1-oxophthalazin-2-yl]acetic acid?
2-[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1-oxophthalazin-2-yl]acetic acid has a molecular weight of 318.38 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1-oxophthalazin-2-yl]acetic acid is sourced from PubChem (CID 175639225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).