(4-aminoquinazolin-2-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate

C19H15N5O4 — CID 27908304

IUPAC(4-aminoquinazolin-2-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
SMILESNc1nc(COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)nc2ccccc12
InChIInChI=1S/C19H15N5O4/c20-17-13-7-3-4-8-14(13)21-15(22-17)10-28-16(25)9-24-19(27)12-6-2-1-5-11(12)18(26)23-24/h1-8H,9-10H2,(H,23,26)(H2,20,21,22)
InChIKeyWSEBJLFJLVZDHT-UHFFFAOYSA-N
MW377.36 g/mol
LogP0.96
Rot. Bonds4

About (4-aminoquinazolin-2-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate

(4-aminoquinazolin-2-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate (PubChem CID 27908304) has the molecular formula C19H15N5O4 and a molecular weight of 377.36 g/mol. Its IUPAC name is (4-aminoquinazolin-2-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate.

Molecular Properties

Compound Name(4-aminoquinazolin-2-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
PubChem CID27908304
Molecular FormulaC19H15N5O4
Molecular Weight377.36 g/mol
Exact Mass377.11
IUPAC Name(4-aminoquinazolin-2-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
SMILESNc1nc(COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)nc2ccccc12
InChIInChI=1S/C19H15N5O4/c20-17-13-7-3-4-8-14(13)21-15(22-17)10-28-16(25)9-24-19(27)12-6-2-1-5-11(12)18(26)23-24/h1-8H,9-10H2,(H,23,26)(H2,20,21,22)
InChIKeyWSEBJLFJLVZDHT-UHFFFAOYSA-N
XLogP0.96
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(4-bromophenyl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 2619253
(4-aminoquinazolin-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate
CID 27910056
[(Z)-3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 135466206
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 2416177
(4-aminoquinazolin-2-yl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 55453723
(2-anilino-2-oxoethyl) 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 2619355
2-ethoxyethyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 24518425
(4-aminoquinazolin-2-yl)methyl 3-phenoxypropanoate
CID 27914976
(2-chloro-4-fluorophenyl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 42967396
benzyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate
CID 23934388
(4-aminoquinazolin-2-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 27923645
[2-(4-bromophenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 18280384

Frequently Asked Questions

What is the IUPAC name of (4-aminoquinazolin-2-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate?
The IUPAC name of (4-aminoquinazolin-2-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate (CID 27908304) is (4-aminoquinazolin-2-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate.
What is the SMILES notation for (4-aminoquinazolin-2-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate?
The canonical SMILES for (4-aminoquinazolin-2-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate is Nc1nc(COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)nc2ccccc12.
What is the InChIKey of (4-aminoquinazolin-2-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate?
The InChIKey is WSEBJLFJLVZDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O4/c20-17-13-7-3-4-8-14(13)21-15(22-17)10-28-16(25)9-24-19(27)12-6-2-1-5-11(12)18(26)23-24/h1-8H,9-10H2,(H,23,26)(H2,20,21,22).
What are the key properties of (4-aminoquinazolin-2-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate?
(4-aminoquinazolin-2-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate has a molecular weight of 377.36 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoquinazolin-2-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate is sourced from PubChem (CID 27908304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).