6,7-dimethoxy-4-pyrrol-1-ylquinazoline

C14H13N3O2 — CID 141163176

IUPAC6,7-dimethoxy-4-pyrrol-1-ylquinazoline
SMILESCOc1cc2ncnc(-n3cccc3)c2cc1OC
InChIInChI=1S/C14H13N3O2/c1-18-12-7-10-11(8-13(12)19-2)15-9-16-14(10)17-5-3-4-6-17/h3-9H,1-2H3
InChIKeyZKQKEKMGVWVTJH-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.44
Rot. Bonds3

About 6,7-dimethoxy-4-pyrrol-1-ylquinazoline

6,7-dimethoxy-4-pyrrol-1-ylquinazoline (PubChem CID 141163176) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6,7-dimethoxy-4-pyrrol-1-ylquinazoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-pyrrol-1-ylquinazoline
PubChem CID141163176
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name6,7-dimethoxy-4-pyrrol-1-ylquinazoline
SMILESCOc1cc2ncnc(-n3cccc3)c2cc1OC
InChIInChI=1S/C14H13N3O2/c1-18-12-7-10-11(8-13(12)19-2)15-9-16-14(10)17-5-3-4-6-17/h3-9H,1-2H3
InChIKeyZKQKEKMGVWVTJH-UHFFFAOYSA-N
XLogP2.44
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
CID 21002947
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
6,7-dimethoxy-4-methylquinazoline
CID 4319422
[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium
CID 22954242
6,7-dimethoxy-4-[3-(triazol-2-yl)azetidin-1-yl]quinazoline
CID 165435774
6,7-dimethoxy-4-propylquinazoline
CID 4077807
4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethoxyquinazoline
CID 156824030
2-[1-(6,7-dimethoxyquinazolin-4-yl)-3-methylazetidin-3-yl]ethylboronic acid
CID 163275324
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
4-(3,4-dihydro-2H-quinolin-1-yl)-6,7-dimethoxyquinazoline;hydrochloride
CID 18770804

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-pyrrol-1-ylquinazoline?
The IUPAC name of 6,7-dimethoxy-4-pyrrol-1-ylquinazoline (CID 141163176) is 6,7-dimethoxy-4-pyrrol-1-ylquinazoline.
What is the SMILES notation for 6,7-dimethoxy-4-pyrrol-1-ylquinazoline?
The canonical SMILES for 6,7-dimethoxy-4-pyrrol-1-ylquinazoline is COc1cc2ncnc(-n3cccc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-pyrrol-1-ylquinazoline?
The InChIKey is ZKQKEKMGVWVTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-18-12-7-10-11(8-13(12)19-2)15-9-16-14(10)17-5-3-4-6-17/h3-9H,1-2H3.
What are the key properties of 6,7-dimethoxy-4-pyrrol-1-ylquinazoline?
6,7-dimethoxy-4-pyrrol-1-ylquinazoline has a molecular weight of 255.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-pyrrol-1-ylquinazoline is sourced from PubChem (CID 141163176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).