methyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate

C15H14ClN3O3 — CID 156537420

IUPACmethyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate
SMILESCOC(=O)C1(C)C(=O)N(C)c2cc3c(Cl)nc(C)nc3cc21
InChIInChI=1S/C15H14ClN3O3/c1-7-17-10-6-9-11(5-8(10)12(16)18-7)19(3)13(20)15(9,2)14(21)22-4/h5-6H,1-4H3
InChIKeyVANOHCUETMNWSQ-UHFFFAOYSA-N
MW319.75 g/mol
LogP2.00
Rot. Bonds1

About methyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate

methyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate (PubChem CID 156537420) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is methyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate
PubChem CID156537420
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Namemethyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate
SMILESCOC(=O)C1(C)C(=O)N(C)c2cc3c(Cl)nc(C)nc3cc21
InChIInChI=1S/C15H14ClN3O3/c1-7-17-10-6-9-11(5-8(10)12(16)18-7)19(3)13(20)15(9,2)14(21)22-4/h5-6H,1-4H3
InChIKeyVANOHCUETMNWSQ-UHFFFAOYSA-N
XLogP2.00
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6,6-bis(fluoromethyl)-2,8-dimethylpyrrolo[3,2-g]quinazolin-7-one
CID 156548085
6-O-ethyl 3-O-methyl 5-bromo-1,3-dimethyl-2-oxoindole-3,6-dicarboxylate
CID 169194497
4-chloro-8-ethyl-2,6,6-trimethylpyrrolo[3,2-g]quinazolin-7-one
CID 156537336
4-chloro-2,6,6,7-tetramethylpyrrolo[3,4-g]quinazolin-8-one
CID 156547674
ethyl 4-[[(1R)-1-[3-(1,1-difluoro-2-hydroxy-2-methylpropyl)-2-fluorophenyl]ethyl]amino]-2,6,8-trimethyl-7-oxopyrrolo[3,2-g]quinazoline-6-carboxylate
CID 156547656
8-methoxy-2,6,8-trimethyl-3H-pyrrolo[2,3-g]quinazoline-4,7-dione
CID 156548269
N-[(4-chloro-8-ethyl-2,6-dimethyl-7-methylidenepyrrolo[2,3-g]quinazolin-8-yl)methyl]-N-methylethenamine
CID 156548171
5-chloro-3-methoxy-1,3,8-trimethylpyrrolo[2,3-g]phthalazin-2-one
CID 169194583
4-chloro-2,6,8-trimethyl-7-methylidene-8,9-dihydropyrido[2,3-g]quinazoline
CID 156548054
ethyl 1,3,5-trimethyl-2-oxoindole-3-carboxylate
CID 56945773
4-[[(1R)-1-(3-bromo-2-fluorophenyl)ethyl]amino]-2,6,8,8-tetramethylpyrrolo[2,3-g]quinazolin-7-one
CID 156548432
methyl (3S)-3-[(3S)-3-methoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate
CID 122219444

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate?
The IUPAC name of methyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate (CID 156537420) is methyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate.
What is the SMILES notation for methyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate?
The canonical SMILES for methyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate is COC(=O)C1(C)C(=O)N(C)c2cc3c(Cl)nc(C)nc3cc21.
What is the InChIKey of methyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate?
The InChIKey is VANOHCUETMNWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c1-7-17-10-6-9-11(5-8(10)12(16)18-7)19(3)13(20)15(9,2)14(21)22-4/h5-6H,1-4H3.
What are the key properties of methyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate?
methyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate has a molecular weight of 319.75 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate is sourced from PubChem (CID 156537420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).