methyl 3-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylate

C20H21N3O4 — CID 25335953

IUPACmethyl 3-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(=O)n(CCCN(C)c3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C20H21N3O4/c1-22(15-7-4-3-5-8-15)11-6-12-23-18(24)16-10-9-14(19(25)27-2)13-17(16)21-20(23)26/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,21,26)
InChIKeyBSHIVXQZPWPBLF-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.00
Rot. Bonds6

About methyl 3-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylate

methyl 3-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylate (PubChem CID 25335953) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is methyl 3-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylate
PubChem CID25335953
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Namemethyl 3-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(=O)n(CCCN(C)c3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C20H21N3O4/c1-22(15-7-4-3-5-8-15)11-6-12-23-18(24)16-10-9-14(19(25)27-2)13-17(16)21-20(23)26/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,21,26)
InChIKeyBSHIVXQZPWPBLF-UHFFFAOYSA-N
XLogP2.00
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylate with MolForge

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Related Compounds

3-[3-(dimethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid
CID 56771840
methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 714468
methyl 3-[6-(butylamino)-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 4091974
methyl 2,4-dioxo-3-[6-oxo-6-(3-propan-2-yloxypropylamino)hexyl]-1H-quinazoline-7-carboxylate
CID 22588150
2-(7-methoxycarbonyl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetic acid
CID 27440469
methyl 3-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 121020879
methyl 3-[6-[2-(4-chlorophenyl)ethylamino]-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 4091982
methyl 3-[(4-methylsulfanylphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 166180675
methyl 3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 51937874
methyl 3-[6-[4-(4-nitrophenyl)piperazin-1-yl]-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 46369025
methyl 4-oxo-3-[4-oxo-4-[[(2R)-2-phenylpropyl]amino]butyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate
CID 92866088
methyl 4-[3-(N-methylanilino)propylcarbamoyl]benzoate
CID 27746721

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylate?
The IUPAC name of methyl 3-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylate (CID 25335953) is methyl 3-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylate.
What is the SMILES notation for methyl 3-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylate?
The canonical SMILES for methyl 3-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylate is COC(=O)c1ccc2c(=O)n(CCCN(C)c3ccccc3)c(=O)[nH]c2c1.
What is the InChIKey of methyl 3-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylate?
The InChIKey is BSHIVXQZPWPBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-22(15-7-4-3-5-8-15)11-6-12-23-18(24)16-10-9-14(19(25)27-2)13-17(16)21-20(23)26/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,21,26).
What are the key properties of methyl 3-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylate?
methyl 3-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylate is sourced from PubChem (CID 25335953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).