4-(5-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline

C18H16ClN3O2 — CID 18932856

IUPAC4-(5-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline
SMILESCOc1cc2ncnc(N3CCc4cc(Cl)ccc43)c2cc1OC
InChIInChI=1S/C18H16ClN3O2/c1-23-16-8-13-14(9-17(16)24-2)20-10-21-18(13)22-6-5-11-7-12(19)3-4-15(11)22/h3-4,7-10H,5-6H2,1-2H3
InChIKeyFZODPGDYKJRDLB-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.99
Rot. Bonds3

About 4-(5-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline

4-(5-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline (PubChem CID 18932856) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 4-(5-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline.

Molecular Properties

Compound Name4-(5-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline
PubChem CID18932856
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name4-(5-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline
SMILESCOc1cc2ncnc(N3CCc4cc(Cl)ccc43)c2cc1OC
InChIInChI=1S/C18H16ClN3O2/c1-23-16-8-13-14(9-17(16)24-2)20-10-21-18(13)22-6-5-11-7-12(19)3-4-15(11)22/h3-4,7-10H,5-6H2,1-2H3
InChIKeyFZODPGDYKJRDLB-UHFFFAOYSA-N
XLogP3.99
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-dimethoxy-4-(5-methoxy-2,3-dihydroindol-1-yl)quinazoline;methanesulfonic acid
CID 86752367
2-[4-(6-chloro-2,3-dihydroindol-1-yl)-6-methoxyquinazolin-7-yl]oxyacetic acid
CID 18932750
1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindol-6-amine
CID 54313644
4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethylquinazoline
CID 18932855
4-(3,4-dihydro-2H-quinolin-1-yl)-6,7-dimethoxyquinazoline;hydrochloride
CID 18770804
4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline;N-(1H-indol-5-yl)-6,7-dimethoxyquinazolin-4-amine
CID 161114097
4-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)-6-methoxy-7-(2-methoxyethoxy)quinazoline
CID 67759960
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
CID 21002947
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline
CID 177373905
2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;ethane
CID 143095921
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-amine;hydrochloride
CID 18932794

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline?
The IUPAC name of 4-(5-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline (CID 18932856) is 4-(5-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline.
What is the SMILES notation for 4-(5-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline?
The canonical SMILES for 4-(5-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline is COc1cc2ncnc(N3CCc4cc(Cl)ccc43)c2cc1OC.
What is the InChIKey of 4-(5-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline?
The InChIKey is FZODPGDYKJRDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-23-16-8-13-14(9-17(16)24-2)20-10-21-18(13)22-6-5-11-7-12(19)3-4-15(11)22/h3-4,7-10H,5-6H2,1-2H3.
What are the key properties of 4-(5-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline?
4-(5-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline has a molecular weight of 341.80 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline is sourced from PubChem (CID 18932856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).