(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate

C25H22N4O5 — CID 43033430

IUPAC(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
SMILESCc1ccn2c(=O)cc(COC(=O)C34CCC(=O)N3c3ccccc3C(=O)N4C3CC3)nc2c1
InChIInChI=1S/C25H22N4O5/c1-15-9-11-27-20(12-15)26-16(13-22(27)31)14-34-24(33)25-10-8-21(30)29(25)19-5-3-2-4-18(19)23(32)28(25)17-6-7-17/h2-5,9,11-13,17H,6-8,10,14H2,1H3
InChIKeyJHQVFLZPQWTDPB-UHFFFAOYSA-N
MW458.47 g/mol
LogP2.19
Rot. Bonds4

About (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate

(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate (PubChem CID 43033430) has the molecular formula C25H22N4O5 and a molecular weight of 458.47 g/mol. Its IUPAC name is (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate.

Molecular Properties

Compound Name(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
PubChem CID43033430
Molecular FormulaC25H22N4O5
Molecular Weight458.47 g/mol
Exact Mass458.16
IUPAC Name(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
SMILESCc1ccn2c(=O)cc(COC(=O)C34CCC(=O)N3c3ccccc3C(=O)N4C3CC3)nc2c1
InChIInChI=1S/C25H22N4O5/c1-15-9-11-27-20(12-15)26-16(13-22(27)31)14-34-24(33)25-10-8-21(30)29(25)19-5-3-2-4-18(19)23(32)28(25)17-6-7-17/h2-5,9,11-13,17H,6-8,10,14H2,1H3
InChIKeyJHQVFLZPQWTDPB-UHFFFAOYSA-N
XLogP2.19
TPSA101.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate?
The IUPAC name of (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate (CID 43033430) is (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate.
What is the SMILES notation for (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate?
The canonical SMILES for (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate is Cc1ccn2c(=O)cc(COC(=O)C34CCC(=O)N3c3ccccc3C(=O)N4C3CC3)nc2c1.
What is the InChIKey of (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate?
The InChIKey is JHQVFLZPQWTDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O5/c1-15-9-11-27-20(12-15)26-16(13-22(27)31)14-34-24(33)25-10-8-21(30)29(25)19-5-3-2-4-18(19)23(32)28(25)17-6-7-17/h2-5,9,11-13,17H,6-8,10,14H2,1H3.
What are the key properties of (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate?
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate has a molecular weight of 458.47 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate is sourced from PubChem (CID 43033430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).