6-bromo-N-[3-chloro-4-(oxolan-3-ylmethoxy)phenyl]quinazolin-4-amine

C19H17BrClN3O2 — CID 166539469

IUPAC6-bromo-N-[3-chloro-4-(oxolan-3-ylmethoxy)phenyl]quinazolin-4-amine
SMILESClc1cc(Nc2ncnc3ccc(Br)cc23)ccc1OCC1CCOC1
InChIInChI=1S/C19H17BrClN3O2/c20-13-1-3-17-15(7-13)19(23-11-22-17)24-14-2-4-18(16(21)8-14)26-10-12-5-6-25-9-12/h1-4,7-8,11-12H,5-6,9-10H2,(H,22,23,24)
InChIKeyQPZDSMIPWRXXOR-UHFFFAOYSA-N
MW434.72 g/mol
LogP5.20
Rot. Bonds5

About 6-bromo-N-[3-chloro-4-(oxolan-3-ylmethoxy)phenyl]quinazolin-4-amine

6-bromo-N-[3-chloro-4-(oxolan-3-ylmethoxy)phenyl]quinazolin-4-amine (PubChem CID 166539469) has the molecular formula C19H17BrClN3O2 and a molecular weight of 434.72 g/mol. Its IUPAC name is 6-bromo-N-[3-chloro-4-(oxolan-3-ylmethoxy)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[3-chloro-4-(oxolan-3-ylmethoxy)phenyl]quinazolin-4-amine
PubChem CID166539469
Molecular FormulaC19H17BrClN3O2
Molecular Weight434.72 g/mol
Exact Mass433.02
IUPAC Name6-bromo-N-[3-chloro-4-(oxolan-3-ylmethoxy)phenyl]quinazolin-4-amine
SMILESClc1cc(Nc2ncnc3ccc(Br)cc23)ccc1OCC1CCOC1
InChIInChI=1S/C19H17BrClN3O2/c20-13-1-3-17-15(7-13)19(23-11-22-17)24-14-2-4-18(16(21)8-14)26-10-12-5-6-25-9-12/h1-4,7-8,11-12H,5-6,9-10H2,(H,22,23,24)
InChIKeyQPZDSMIPWRXXOR-UHFFFAOYSA-N
XLogP5.20
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.72
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine
CID 121416177
6-chloro-N-[3-chloro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166540295
3-[(2,4-dibromophenoxy)methyl]oxolane
CID 91641548
1-[6-[4-[3-chloro-4-(oxolan-3-ylmethoxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-1,6-diazaspiro[3.3]heptan-1-yl]prop-2-en-1-one
CID 166540108
N-(3-chloro-4-fluorophenyl)-7-(oxolan-3-yloxy)-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine
CID 143534857
(E)-4-[(4aS,7aS)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl]-N-[4-(3-chloro-4-fluoroanilino)-7-[[(3S)-oxolan-3-yl]methoxy]quinazolin-6-yl]but-2-enamide
CID 86305766
6-bromo-2-(chloromethyl)-4-(oxolan-3-ylmethoxy)quinazoline
CID 118058555
6-chloro-N-[3-chloro-2-fluoro-4-(oxolan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166539594
N-[4-(3-chloro-4-fluoroanilino)-7-(cyclopropylmethoxy)quinazolin-6-yl]-4-[methyl(oxolan-3-ylmethyl)amino]but-2-enamide
CID 68659668
6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 720635
4-bromo-2-(oxolan-3-ylmethoxy)aniline
CID 65342327
4-N-[3-chloro-4-(pyridin-4-ylmethoxy)phenyl]quinazoline-4,6-diamine
CID 69221072

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[3-chloro-4-(oxolan-3-ylmethoxy)phenyl]quinazolin-4-amine?
The IUPAC name of 6-bromo-N-[3-chloro-4-(oxolan-3-ylmethoxy)phenyl]quinazolin-4-amine (CID 166539469) is 6-bromo-N-[3-chloro-4-(oxolan-3-ylmethoxy)phenyl]quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-[3-chloro-4-(oxolan-3-ylmethoxy)phenyl]quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-[3-chloro-4-(oxolan-3-ylmethoxy)phenyl]quinazolin-4-amine is Clc1cc(Nc2ncnc3ccc(Br)cc23)ccc1OCC1CCOC1.
What is the InChIKey of 6-bromo-N-[3-chloro-4-(oxolan-3-ylmethoxy)phenyl]quinazolin-4-amine?
The InChIKey is QPZDSMIPWRXXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrClN3O2/c20-13-1-3-17-15(7-13)19(23-11-22-17)24-14-2-4-18(16(21)8-14)26-10-12-5-6-25-9-12/h1-4,7-8,11-12H,5-6,9-10H2,(H,22,23,24).
What are the key properties of 6-bromo-N-[3-chloro-4-(oxolan-3-ylmethoxy)phenyl]quinazolin-4-amine?
6-bromo-N-[3-chloro-4-(oxolan-3-ylmethoxy)phenyl]quinazolin-4-amine has a molecular weight of 434.72 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[3-chloro-4-(oxolan-3-ylmethoxy)phenyl]quinazolin-4-amine is sourced from PubChem (CID 166539469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).