6-(5-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-methyl-3H-quinazolin-4-one

C18H16N4O2 — CID 167982948

IUPAC6-(5-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-methyl-3H-quinazolin-4-one
SMILESCOc1cc2c(-c3ccc4nc(C)[nH]c(=O)c4c3)cn(C)c2cn1
InChIInChI=1S/C18H16N4O2/c1-10-20-15-5-4-11(6-13(15)18(23)21-10)14-9-22(2)16-8-19-17(24-3)7-12(14)16/h4-9H,1-3H3,(H,20,21,23)
InChIKeyUGOWUJZQJAMDGX-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.79
Rot. Bonds2

About 6-(5-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-methyl-3H-quinazolin-4-one

6-(5-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-methyl-3H-quinazolin-4-one (PubChem CID 167982948) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 6-(5-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(5-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-methyl-3H-quinazolin-4-one
PubChem CID167982948
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name6-(5-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-methyl-3H-quinazolin-4-one
SMILESCOc1cc2c(-c3ccc4nc(C)[nH]c(=O)c4c3)cn(C)c2cn1
InChIInChI=1S/C18H16N4O2/c1-10-20-15-5-4-11(6-13(15)18(23)21-10)14-9-22(2)16-8-19-17(24-3)7-12(14)16/h4-9H,1-3H3,(H,20,21,23)
InChIKeyUGOWUJZQJAMDGX-UHFFFAOYSA-N
XLogP2.79
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(5-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-methyl-3H-quinazolin-4-one with MolForge

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Related Compounds

6-methoxy-2-methyl-3H-quinazolin-4-one
CID 135449497
2-methyl-6-quinoxalin-2-yl-3H-quinazolin-4-one
CID 135873412
2,6,9-trimethyl-3H-pyrazino[2,3-g]quinazoline-4,7,8-trione
CID 156537248
2-methyl-6-methylsulfonyl-3H-quinazolin-4-one
CID 137009985
1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one
CID 122589401
8-methoxy-2,6,8-trimethyl-3H-pyrrolo[2,3-g]quinazoline-4,7-dione
CID 156548269
7-methoxy-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 167506140
4-chloro-6-methoxy-1-methyl-1,7-naphthyridin-2-one
CID 150378394
2-methyl-6-[(4-methylphenyl)methylamino]-3H-quinazolin-4-one
CID 137101004
2-methyl-6-[(3S)-oxolan-3-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one
CID 165178715
[4-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-3-yl)phenyl]carbamic acid
CID 90024701
2-[2-hydroxy-5-(6-methoxy-3-pyridinyl)phenyl]-3H-quinazolin-4-one
CID 168553345

Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-methyl-3H-quinazolin-4-one?
The IUPAC name of 6-(5-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-methyl-3H-quinazolin-4-one (CID 167982948) is 6-(5-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 6-(5-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-methyl-3H-quinazolin-4-one?
The canonical SMILES for 6-(5-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-methyl-3H-quinazolin-4-one is COc1cc2c(-c3ccc4nc(C)[nH]c(=O)c4c3)cn(C)c2cn1.
What is the InChIKey of 6-(5-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-methyl-3H-quinazolin-4-one?
The InChIKey is UGOWUJZQJAMDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-10-20-15-5-4-11(6-13(15)18(23)21-10)14-9-22(2)16-8-19-17(24-3)7-12(14)16/h4-9H,1-3H3,(H,20,21,23).
What are the key properties of 6-(5-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-methyl-3H-quinazolin-4-one?
6-(5-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-methyl-3H-quinazolin-4-one has a molecular weight of 320.35 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 167982948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).