1-methyl-3-(4H-quinazolin-3-yl)pyrrole-2,5-diol

C13H13N3O2 — CID 90891190

IUPAC1-methyl-3-(4H-quinazolin-3-yl)pyrrole-2,5-diol
SMILESCn1c(O)cc(N2C=Nc3ccccc3C2)c1O
InChIInChI=1S/C13H13N3O2/c1-15-12(17)6-11(13(15)18)16-7-9-4-2-3-5-10(9)14-8-16/h2-6,8,17-18H,7H2,1H3
InChIKeySCGIISIWMDJCSO-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.12
Rot. Bonds1

About 1-methyl-3-(4H-quinazolin-3-yl)pyrrole-2,5-diol

1-methyl-3-(4H-quinazolin-3-yl)pyrrole-2,5-diol (PubChem CID 90891190) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-methyl-3-(4H-quinazolin-3-yl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-methyl-3-(4H-quinazolin-3-yl)pyrrole-2,5-diol
PubChem CID90891190
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name1-methyl-3-(4H-quinazolin-3-yl)pyrrole-2,5-diol
SMILESCn1c(O)cc(N2C=Nc3ccccc3C2)c1O
InChIInChI=1S/C13H13N3O2/c1-15-12(17)6-11(13(15)18)16-7-9-4-2-3-5-10(9)14-8-16/h2-6,8,17-18H,7H2,1H3
InChIKeySCGIISIWMDJCSO-UHFFFAOYSA-N
XLogP2.12
TPSA60.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-fluoro-4-pyridinyl)-4H-quinazoline
CID 175719929
3-(3-fluoro-4-methoxyphenyl)-4H-quinazoline
CID 91164821
2,2-difluoroethyl-methylidene-[4-methyl-3-(4H-quinazolin-3-yl)phenyl]-λ4-sulfane
CID 158833307
3-(7-fluoro-4H-quinazolin-3-yl)-5-sulfanyl-1H-pyrrol-2-ol
CID 90893073
3-(3-bromo-2,6-difluorophenyl)-4H-quinazoline
CID 175719996
3-[(2,4,6-trimethylphenyl)methyl]-4H-quinazoline
CID 102203198
3-(2-methylprop-2-enyl)-4H-quinazoline
CID 11629718
4H-quinazoline-3-carboxamide;hydrochloride
CID 67974044
4-[[4-[6-[(4-aminophenyl)methyl]-4H-quinazolin-3-yl]phenyl]methyl]aniline;3-phenyl-4H-quinazoline;4-[(3-phenyl-4H-quinazolin-6-yl)methyl]aniline;4-[[4-(4H-quinazolin-3-yl)phenyl]methyl]aniline
CID 159225378
5-methyl-6H-phenanthridin-3-ol
CID 21303886
[4-fluoro-3-(6-fluoro-4H-quinazolin-3-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 175719919
3-iodo-2-methylsulfanyl-4H-quinazoline
CID 163198633

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4H-quinazolin-3-yl)pyrrole-2,5-diol?
The IUPAC name of 1-methyl-3-(4H-quinazolin-3-yl)pyrrole-2,5-diol (CID 90891190) is 1-methyl-3-(4H-quinazolin-3-yl)pyrrole-2,5-diol.
What is the SMILES notation for 1-methyl-3-(4H-quinazolin-3-yl)pyrrole-2,5-diol?
The canonical SMILES for 1-methyl-3-(4H-quinazolin-3-yl)pyrrole-2,5-diol is Cn1c(O)cc(N2C=Nc3ccccc3C2)c1O.
What is the InChIKey of 1-methyl-3-(4H-quinazolin-3-yl)pyrrole-2,5-diol?
The InChIKey is SCGIISIWMDJCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-15-12(17)6-11(13(15)18)16-7-9-4-2-3-5-10(9)14-8-16/h2-6,8,17-18H,7H2,1H3.
What are the key properties of 1-methyl-3-(4H-quinazolin-3-yl)pyrrole-2,5-diol?
1-methyl-3-(4H-quinazolin-3-yl)pyrrole-2,5-diol has a molecular weight of 243.27 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4H-quinazolin-3-yl)pyrrole-2,5-diol is sourced from PubChem (CID 90891190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).