4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-chloro-6-fluoroquinazoline

C17H12BrClFN3 — CID 156557419

IUPAC4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-chloro-6-fluoroquinazoline
SMILESFc1ccc2nc(Cl)nc(N3CCCc4c(Br)cccc43)c2c1
InChIInChI=1S/C17H12BrClFN3/c18-13-4-1-5-15-11(13)3-2-8-23(15)16-12-9-10(20)6-7-14(12)21-17(19)22-16/h1,4-7,9H,2-3,8H2
InChIKeyHAWMZGINGZEUDA-UHFFFAOYSA-N
MW392.66 g/mol
LogP5.27
Rot. Bonds1

About 4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-chloro-6-fluoroquinazoline

4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-chloro-6-fluoroquinazoline (PubChem CID 156557419) has the molecular formula C17H12BrClFN3 and a molecular weight of 392.66 g/mol. Its IUPAC name is 4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-chloro-6-fluoroquinazoline.

Molecular Properties

Compound Name4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-chloro-6-fluoroquinazoline
PubChem CID156557419
Molecular FormulaC17H12BrClFN3
Molecular Weight392.66 g/mol
Exact Mass390.99
IUPAC Name4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-chloro-6-fluoroquinazoline
SMILESFc1ccc2nc(Cl)nc(N3CCCc4c(Br)cccc43)c2c1
InChIInChI=1S/C17H12BrClFN3/c18-13-4-1-5-15-11(13)3-2-8-23(15)16-12-9-10(20)6-7-14(12)21-17(19)22-16/h1,4-7,9H,2-3,8H2
InChIKeyHAWMZGINGZEUDA-UHFFFAOYSA-N
XLogP5.27
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.66
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-chloro-6-fluoroquinazoline?
The IUPAC name of 4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-chloro-6-fluoroquinazoline (CID 156557419) is 4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-chloro-6-fluoroquinazoline.
What is the SMILES notation for 4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-chloro-6-fluoroquinazoline?
The canonical SMILES for 4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-chloro-6-fluoroquinazoline is Fc1ccc2nc(Cl)nc(N3CCCc4c(Br)cccc43)c2c1.
What is the InChIKey of 4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-chloro-6-fluoroquinazoline?
The InChIKey is HAWMZGINGZEUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClFN3/c18-13-4-1-5-15-11(13)3-2-8-23(15)16-12-9-10(20)6-7-14(12)21-17(19)22-16/h1,4-7,9H,2-3,8H2.
What are the key properties of 4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-chloro-6-fluoroquinazoline?
4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-chloro-6-fluoroquinazoline has a molecular weight of 392.66 g/mol, XLogP of 5.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-chloro-6-fluoroquinazoline is sourced from PubChem (CID 156557419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).