4-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)-7-methoxyquinazoline

C17H13BrFN3O — CID 18932878

IUPAC4-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)-7-methoxyquinazoline
SMILESCOc1ccc2c(N3CCc4cc(F)c(Br)cc43)ncnc2c1
InChIInChI=1S/C17H13BrFN3O/c1-23-11-2-3-12-15(7-11)20-9-21-17(12)22-5-4-10-6-14(19)13(18)8-16(10)22/h2-3,6-9H,4-5H2,1H3
InChIKeyDXLDJRUJUNPNQU-UHFFFAOYSA-N
MW374.21 g/mol
LogP4.23
Rot. Bonds2

About 4-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)-7-methoxyquinazoline

4-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)-7-methoxyquinazoline (PubChem CID 18932878) has the molecular formula C17H13BrFN3O and a molecular weight of 374.21 g/mol. Its IUPAC name is 4-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)-7-methoxyquinazoline.

Molecular Properties

Compound Name4-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)-7-methoxyquinazoline
PubChem CID18932878
Molecular FormulaC17H13BrFN3O
Molecular Weight374.21 g/mol
Exact Mass373.02
IUPAC Name4-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)-7-methoxyquinazoline
SMILESCOc1ccc2c(N3CCc4cc(F)c(Br)cc43)ncnc2c1
InChIInChI=1S/C17H13BrFN3O/c1-23-11-2-3-12-15(7-11)20-9-21-17(12)22-5-4-10-6-14(19)13(18)8-16(10)22/h2-3,6-9H,4-5H2,1H3
InChIKeyDXLDJRUJUNPNQU-UHFFFAOYSA-N
XLogP4.23
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.21
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

PD-153035
CID 4705
PD-153035 hydrochloride
CID 11246488
Ebe-A22
CID 5328227
N-benzyl-7-methoxyquinazolin-4-amine
CID 5328032
7-methoxy-N-phenylquinazolin-4-amine
CID 5328190
4-N-(3-bromophenyl)-7-methoxyquinazoline-4,6-diamine
CID 5328212
N-(3-bromophenyl)-5-methoxyquinazolin-4-amine
CID 5328040
N-(3-bromophenyl)-7-methoxyquinazolin-4-amine
CID 5328046
N-(3-bromophenyl)-2H-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 5328220
4-Anilinoquinazoline 11
CID 5329039
3-Methoxy-5-methylindolo[2,3-b]quinoline
CID 49863494
Allyl-[6-[4-(4-bromo-phenyl)-quinazolin-7-yloxy]-hexyl]-methyl-amine
CID 10994090

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)-7-methoxyquinazoline?
The IUPAC name of 4-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)-7-methoxyquinazoline (CID 18932878) is 4-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)-7-methoxyquinazoline.
What is the SMILES notation for 4-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)-7-methoxyquinazoline?
The canonical SMILES for 4-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)-7-methoxyquinazoline is COc1ccc2c(N3CCc4cc(F)c(Br)cc43)ncnc2c1.
What is the InChIKey of 4-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)-7-methoxyquinazoline?
The InChIKey is DXLDJRUJUNPNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN3O/c1-23-11-2-3-12-15(7-11)20-9-21-17(12)22-5-4-10-6-14(19)13(18)8-16(10)22/h2-3,6-9H,4-5H2,1H3.
What are the key properties of 4-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)-7-methoxyquinazoline?
4-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)-7-methoxyquinazoline has a molecular weight of 374.21 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)-7-methoxyquinazoline is sourced from PubChem (CID 18932878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).