6-bromo-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)quinazolin-4-amine

C17H13BrFN3O — CID 133295805

IUPAC6-bromo-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)quinazolin-4-amine
SMILESFc1ccc2c(c1)C(Nc1ncnc3ccc(Br)cc13)CCO2
InChIInChI=1S/C17H13BrFN3O/c18-10-1-3-14-13(7-10)17(21-9-20-14)22-15-5-6-23-16-4-2-11(19)8-12(15)16/h1-4,7-9,15H,5-6H2,(H,20,21,22)
InChIKeyVSEIBMDVNDHLAL-UHFFFAOYSA-N
MW374.21 g/mol
LogP4.47
Rot. Bonds2

About 6-bromo-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)quinazolin-4-amine

6-bromo-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)quinazolin-4-amine (PubChem CID 133295805) has the molecular formula C17H13BrFN3O and a molecular weight of 374.21 g/mol. Its IUPAC name is 6-bromo-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)quinazolin-4-amine
PubChem CID133295805
Molecular FormulaC17H13BrFN3O
Molecular Weight374.21 g/mol
Exact Mass373.02
IUPAC Name6-bromo-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)quinazolin-4-amine
SMILESFc1ccc2c(c1)C(Nc1ncnc3ccc(Br)cc13)CCO2
InChIInChI=1S/C17H13BrFN3O/c18-10-1-3-14-13(7-10)17(21-9-20-14)22-15-5-6-23-16-4-2-11(19)8-12(15)16/h1-4,7-9,15H,5-6H2,(H,20,21,22)
InChIKeyVSEIBMDVNDHLAL-UHFFFAOYSA-N
XLogP4.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.21
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 126772327
6-bromo-N-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43777607
6-bromo-N-(2,6-dichloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 83078339
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-6-fluoroquinazolin-4-amine
CID 171358732
3-[(6-bromoquinazolin-4-yl)amino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 86941103
6-bromo-N-(2,6-dibromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 107597702
6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43787895
2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-3H-quinazolin-4-one
CID 137268379
(4R)-6-fluoro-N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 124696908
6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)quinazolin-4-amine
CID 133377625
5-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-fluorobenzonitrile
CID 62316798
6-fluoro-N-(4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 133295812

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)quinazolin-4-amine?
The IUPAC name of 6-bromo-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)quinazolin-4-amine (CID 133295805) is 6-bromo-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)quinazolin-4-amine is Fc1ccc2c(c1)C(Nc1ncnc3ccc(Br)cc13)CCO2.
What is the InChIKey of 6-bromo-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)quinazolin-4-amine?
The InChIKey is VSEIBMDVNDHLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN3O/c18-10-1-3-14-13(7-10)17(21-9-20-14)22-15-5-6-23-16-4-2-11(19)8-12(15)16/h1-4,7-9,15H,5-6H2,(H,20,21,22).
What are the key properties of 6-bromo-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)quinazolin-4-amine?
6-bromo-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)quinazolin-4-amine has a molecular weight of 374.21 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)quinazolin-4-amine is sourced from PubChem (CID 133295805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).