7-bromo-N-(5-fluoroquinolin-6-yl)-5-[(3R)-1-methylpiperidin-3-yl]oxyquinazolin-4-amine

C23H21BrFN5O — CID 165120430

IUPAC7-bromo-N-(5-fluoroquinolin-6-yl)-5-[(3R)-1-methylpiperidin-3-yl]oxyquinazolin-4-amine
SMILESCN1CCC[C@@H](Oc2cc(Br)cc3ncnc(Nc4ccc5ncccc5c4F)c23)C1
InChIInChI=1S/C23H21BrFN5O/c1-30-9-3-4-15(12-30)31-20-11-14(24)10-19-21(20)23(28-13-27-19)29-18-7-6-17-16(22(18)25)5-2-8-26-17/h2,5-8,10-11,13,15H,3-4,9,12H2,1H3,(H,27,28,29)/t15-/m1/s1
InChIKeyVHQBXVSRWMKNBA-OAHLLOKOSA-N
MW482.36 g/mol
LogP5.30
Rot. Bonds4

About 7-bromo-N-(5-fluoroquinolin-6-yl)-5-[(3R)-1-methylpiperidin-3-yl]oxyquinazolin-4-amine

7-bromo-N-(5-fluoroquinolin-6-yl)-5-[(3R)-1-methylpiperidin-3-yl]oxyquinazolin-4-amine (PubChem CID 165120430) has the molecular formula C23H21BrFN5O and a molecular weight of 482.36 g/mol. Its IUPAC name is 7-bromo-N-(5-fluoroquinolin-6-yl)-5-[(3R)-1-methylpiperidin-3-yl]oxyquinazolin-4-amine.

Molecular Properties

Compound Name7-bromo-N-(5-fluoroquinolin-6-yl)-5-[(3R)-1-methylpiperidin-3-yl]oxyquinazolin-4-amine
PubChem CID165120430
Molecular FormulaC23H21BrFN5O
Molecular Weight482.36 g/mol
Exact Mass481.09
IUPAC Name7-bromo-N-(5-fluoroquinolin-6-yl)-5-[(3R)-1-methylpiperidin-3-yl]oxyquinazolin-4-amine
SMILESCN1CCC[C@@H](Oc2cc(Br)cc3ncnc(Nc4ccc5ncccc5c4F)c23)C1
InChIInChI=1S/C23H21BrFN5O/c1-30-9-3-4-15(12-30)31-20-11-14(24)10-19-21(20)23(28-13-27-19)29-18-7-6-17-16(22(18)25)5-2-8-26-17/h2,5-8,10-11,13,15H,3-4,9,12H2,1H3,(H,27,28,29)/t15-/m1/s1
InChIKeyVHQBXVSRWMKNBA-OAHLLOKOSA-N
XLogP5.30
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.36
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-bromo-N-(5-fluoroquinolin-6-yl)-5-[(3R)-1-methylpiperidin-3-yl]oxyquinazolin-4-amine with MolForge

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Related Compounds

5-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)quinazolin-4-amine
CID 165120402
5-(3-fluoro-1-methylpiperidin-4-yl)oxy-N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)quinazolin-4-amine
CID 166592246
7-bromo-5-[(2S,3S)-3-(dimethylamino)butan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)quinazolin-4-amine
CID 165120608
7-fluoro-N-[5-[(3S)-1-methylpiperidin-3-yl]oxy-7-(1-methylpyrazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-6-amine
CID 171089139
2-[4-[(5-fluoroquinolin-6-yl)amino]-7-(1-methylpyrazol-4-yl)quinazolin-5-yl]oxycyclobutan-1-ol
CID 165120340
5-[(2R,3R)-3-(dimethylamino)butan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)quinazolin-4-amine
CID 165120699
2-[(3R)-1-[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-4-[(5-fluoroquinolin-6-yl)amino]quinazolin-7-yl]pyrrolidin-3-yl]propan-2-ol
CID 165120302
7-bromo-N-(5,8-difluoroquinolin-6-yl)-5-[(1R)-1-(oxetan-3-yl)ethoxy]quinazolin-4-amine
CID 165120623
5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-[(3S)-3-methoxypyrrolidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine
CID 165120541
CID 165120534
CID 165120534
1-[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-4-[(5-fluoroquinolin-6-yl)amino]quinazolin-7-yl]pyrrolidin-2-one
CID 165120308
ethane;2-[4-[(5-fluoroquinolin-6-yl)amino]-7-(1-methylpyrazol-4-yl)quinazolin-5-yl]oxy-N,N-dimethylpropanamide
CID 165120415

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(5-fluoroquinolin-6-yl)-5-[(3R)-1-methylpiperidin-3-yl]oxyquinazolin-4-amine?
The IUPAC name of 7-bromo-N-(5-fluoroquinolin-6-yl)-5-[(3R)-1-methylpiperidin-3-yl]oxyquinazolin-4-amine (CID 165120430) is 7-bromo-N-(5-fluoroquinolin-6-yl)-5-[(3R)-1-methylpiperidin-3-yl]oxyquinazolin-4-amine.
What is the SMILES notation for 7-bromo-N-(5-fluoroquinolin-6-yl)-5-[(3R)-1-methylpiperidin-3-yl]oxyquinazolin-4-amine?
The canonical SMILES for 7-bromo-N-(5-fluoroquinolin-6-yl)-5-[(3R)-1-methylpiperidin-3-yl]oxyquinazolin-4-amine is CN1CCC[C@@H](Oc2cc(Br)cc3ncnc(Nc4ccc5ncccc5c4F)c23)C1.
What is the InChIKey of 7-bromo-N-(5-fluoroquinolin-6-yl)-5-[(3R)-1-methylpiperidin-3-yl]oxyquinazolin-4-amine?
The InChIKey is VHQBXVSRWMKNBA-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H21BrFN5O/c1-30-9-3-4-15(12-30)31-20-11-14(24)10-19-21(20)23(28-13-27-19)29-18-7-6-17-16(22(18)25)5-2-8-26-17/h2,5-8,10-11,13,15H,3-4,9,12H2,1H3,(H,27,28,29)/t15-/m1/s1.
What are the key properties of 7-bromo-N-(5-fluoroquinolin-6-yl)-5-[(3R)-1-methylpiperidin-3-yl]oxyquinazolin-4-amine?
7-bromo-N-(5-fluoroquinolin-6-yl)-5-[(3R)-1-methylpiperidin-3-yl]oxyquinazolin-4-amine has a molecular weight of 482.36 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(5-fluoroquinolin-6-yl)-5-[(3R)-1-methylpiperidin-3-yl]oxyquinazolin-4-amine is sourced from PubChem (CID 165120430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).