4-(benzimidazol-1-yl)-6,7,8-trimethoxyquinazoline

C18H16N4O3 — CID 110435786

IUPAC4-(benzimidazol-1-yl)-6,7,8-trimethoxyquinazoline
SMILESCOc1cc2c(-n3cnc4ccccc43)ncnc2c(OC)c1OC
InChIInChI=1S/C18H16N4O3/c1-23-14-8-11-15(17(25-3)16(14)24-2)19-9-20-18(11)22-10-21-12-6-4-5-7-13(12)22/h4-10H,1-3H3
InChIKeyOLCJOCRNIUNTMM-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.99
Rot. Bonds4

About 4-(benzimidazol-1-yl)-6,7,8-trimethoxyquinazoline

4-(benzimidazol-1-yl)-6,7,8-trimethoxyquinazoline (PubChem CID 110435786) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-6,7,8-trimethoxyquinazoline.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-6,7,8-trimethoxyquinazoline
PubChem CID110435786
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name4-(benzimidazol-1-yl)-6,7,8-trimethoxyquinazoline
SMILESCOc1cc2c(-n3cnc4ccccc43)ncnc2c(OC)c1OC
InChIInChI=1S/C18H16N4O3/c1-23-14-8-11-15(17(25-3)16(14)24-2)19-9-20-18(11)22-10-21-12-6-4-5-7-13(12)22/h4-10H,1-3H3
InChIKeyOLCJOCRNIUNTMM-UHFFFAOYSA-N
XLogP2.99
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(azepan-1-yl)-6,7,8-trimethoxyquinazoline
CID 110433392
4-(benzimidazol-1-yl)quinazolin-7-amine
CID 65336608
3-[2-(benzotriazol-1-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171385492
4-(benzimidazol-1-yl)-5,6,7-trimethoxychromen-2-one
CID 102417976
1-(benzimidazol-1-yl)-7-methoxyisoquinoline
CID 106543716
6,7,8-trimethoxy-4-methylquinazoline
CID 70672853
4-(benzimidazol-1-yl)thieno[2,3-d]pyrimidine
CID 17417188
4-(3,5-dimethylpiperidin-1-yl)-6,7,8-trimethoxyquinazoline
CID 110433380
4-(benzimidazol-1-yl)-2-methoxyaniline
CID 63676519
4-[4-(benzimidazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90395649
6,7,8-trimethoxy-N,N-dimethylquinazolin-4-amine
CID 110433384
4-ethyl-1-(6,7,8-trimethoxyquinazolin-4-yl)piperidin-4-ol
CID 86202989

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-6,7,8-trimethoxyquinazoline?
The IUPAC name of 4-(benzimidazol-1-yl)-6,7,8-trimethoxyquinazoline (CID 110435786) is 4-(benzimidazol-1-yl)-6,7,8-trimethoxyquinazoline.
What is the SMILES notation for 4-(benzimidazol-1-yl)-6,7,8-trimethoxyquinazoline?
The canonical SMILES for 4-(benzimidazol-1-yl)-6,7,8-trimethoxyquinazoline is COc1cc2c(-n3cnc4ccccc43)ncnc2c(OC)c1OC.
What is the InChIKey of 4-(benzimidazol-1-yl)-6,7,8-trimethoxyquinazoline?
The InChIKey is OLCJOCRNIUNTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-23-14-8-11-15(17(25-3)16(14)24-2)19-9-20-18(11)22-10-21-12-6-4-5-7-13(12)22/h4-10H,1-3H3.
What are the key properties of 4-(benzimidazol-1-yl)-6,7,8-trimethoxyquinazoline?
4-(benzimidazol-1-yl)-6,7,8-trimethoxyquinazoline has a molecular weight of 336.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-6,7,8-trimethoxyquinazoline is sourced from PubChem (CID 110435786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).