[4-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]phenyl]-morpholin-4-ylmethanone

C25H22BrN5O2 — CID 69015649

IUPAC[4-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]phenyl]-morpholin-4-ylmethanone
SMILESNc1nc(Nc2cccc(Br)c2)c2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc2n1
InChIInChI=1S/C25H22BrN5O2/c26-19-2-1-3-20(15-19)28-23-21-14-18(8-9-22(21)29-25(27)30-23)16-4-6-17(7-5-16)24(32)31-10-12-33-13-11-31/h1-9,14-15H,10-13H2,(H3,27,28,29,30)
InChIKeyFKYONTKUJNTDKI-UHFFFAOYSA-N
MW504.39 g/mol
LogP4.86
Rot. Bonds4

About [4-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]phenyl]-morpholin-4-ylmethanone

[4-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 69015649) has the molecular formula C25H22BrN5O2 and a molecular weight of 504.39 g/mol. Its IUPAC name is [4-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID69015649
Molecular FormulaC25H22BrN5O2
Molecular Weight504.39 g/mol
Exact Mass503.10
IUPAC Name[4-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]phenyl]-morpholin-4-ylmethanone
SMILESNc1nc(Nc2cccc(Br)c2)c2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc2n1
InChIInChI=1S/C25H22BrN5O2/c26-19-2-1-3-20(15-19)28-23-21-14-18(8-9-22(21)29-25(27)30-23)16-4-6-17(7-5-16)24(32)31-10-12-33-13-11-31/h1-9,14-15H,10-13H2,(H3,27,28,29,30)
InChIKeyFKYONTKUJNTDKI-UHFFFAOYSA-N
XLogP4.86
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.39
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-N,N-diethylbenzamide
CID 69017846
4-N-(3-bromophenyl)-6-[4-(oxan-2-yloxy)phenyl]quinazoline-2,4-diamine
CID 69017284
4-N-(3-bromophenyl)-6-(6-fluoro-3-pyridinyl)quinazoline-2,4-diamine
CID 69014089
[4-[(6-bromo-4-phenylquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 1116310
tert-butyl 4-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]pyrazole-1-carboxylate
CID 69014084
6-(2-amino-5-methylphenyl)-4-N-(3-bromophenyl)quinazoline-2,4-diamine
CID 69013442
tert-butyl 2-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]benzoate
CID 69013932
4-N-(3-bromophenyl)-6-[2-(dimethylamino)phenyl]quinazoline-2,4-diamine
CID 69015346
N-[3-(morpholine-4-carbonyl)phenyl]-4-phenylbenzamide
CID 17205412
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262
[3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 22060666
[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 100779117

Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]phenyl]-morpholin-4-ylmethanone (CID 69015649) is [4-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]phenyl]-morpholin-4-ylmethanone is Nc1nc(Nc2cccc(Br)c2)c2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc2n1.
What is the InChIKey of [4-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is FKYONTKUJNTDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22BrN5O2/c26-19-2-1-3-20(15-19)28-23-21-14-18(8-9-22(21)29-25(27)30-23)16-4-6-17(7-5-16)24(32)31-10-12-33-13-11-31/h1-9,14-15H,10-13H2,(H3,27,28,29,30).
What are the key properties of [4-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]phenyl]-morpholin-4-ylmethanone?
[4-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 504.39 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 69015649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).