4-bromo-3-methoxy-N-[5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]benzamide

C23H25BrN4O3 — CID 152679693

IUPAC4-bromo-3-methoxy-N-[5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]benzamide
SMILESCOc1cc(C(=O)Nc2ncnc3cccc(OCC4CCN(C)CC4)c23)ccc1Br
InChIInChI=1S/C23H25BrN4O3/c1-28-10-8-15(9-11-28)13-31-19-5-3-4-18-21(19)22(26-14-25-18)27-23(29)16-6-7-17(24)20(12-16)30-2/h3-7,12,14-15H,8-11,13H2,1-2H3,(H,25,26,27,29)
InChIKeyZNGQVZUKWJYHPD-UHFFFAOYSA-N
MW485.38 g/mol
LogP4.37
Rot. Bonds6

About 4-bromo-3-methoxy-N-[5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]benzamide

4-bromo-3-methoxy-N-[5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]benzamide (PubChem CID 152679693) has the molecular formula C23H25BrN4O3 and a molecular weight of 485.38 g/mol. Its IUPAC name is 4-bromo-3-methoxy-N-[5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]benzamide.

Molecular Properties

Compound Name4-bromo-3-methoxy-N-[5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]benzamide
PubChem CID152679693
Molecular FormulaC23H25BrN4O3
Molecular Weight485.38 g/mol
Exact Mass484.11
IUPAC Name4-bromo-3-methoxy-N-[5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]benzamide
SMILESCOc1cc(C(=O)Nc2ncnc3cccc(OCC4CCN(C)CC4)c23)ccc1Br
InChIInChI=1S/C23H25BrN4O3/c1-28-10-8-15(9-11-28)13-31-19-5-3-4-18-21(19)22(26-14-25-18)27-23(29)16-6-7-17(24)20(12-16)30-2/h3-7,12,14-15H,8-11,13H2,1-2H3,(H,25,26,27,29)
InChIKeyZNGQVZUKWJYHPD-UHFFFAOYSA-N
XLogP4.37
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-bromo-5-methoxyphenyl)-5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 22140784
4-bromo-3-methoxy-N-[5-(1-piperidin-4-ylethoxy)quinazolin-4-yl]benzamide
CID 174448097
1-(2-bromophenyl)-3-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]sulfanylurea
CID 87714502
N-[3-bromo-4-(2-fluorophenoxy)phenyl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 166515235
N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]furan-3-carboxamide
CID 166515218
3-[4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenoxy]benzamide
CID 166515151
2-(2-aminoethyl)-1-(2,6-dimethylphenyl)-3-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]guanidine
CID 22243855
N-cyclopenta[b]pyran-5-yl-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 68738104
N-bromo-N-(2,6-difluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 21081997
[4-chloro-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl] benzoate
CID 86609392
N-(2-chloro-5-methoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 5330175
6-methoxy-4-(3-methylphenoxy)-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline
CID 143865456

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methoxy-N-[5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]benzamide?
The IUPAC name of 4-bromo-3-methoxy-N-[5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]benzamide (CID 152679693) is 4-bromo-3-methoxy-N-[5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]benzamide.
What is the SMILES notation for 4-bromo-3-methoxy-N-[5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]benzamide?
The canonical SMILES for 4-bromo-3-methoxy-N-[5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]benzamide is COc1cc(C(=O)Nc2ncnc3cccc(OCC4CCN(C)CC4)c23)ccc1Br.
What is the InChIKey of 4-bromo-3-methoxy-N-[5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]benzamide?
The InChIKey is ZNGQVZUKWJYHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN4O3/c1-28-10-8-15(9-11-28)13-31-19-5-3-4-18-21(19)22(26-14-25-18)27-23(29)16-6-7-17(24)20(12-16)30-2/h3-7,12,14-15H,8-11,13H2,1-2H3,(H,25,26,27,29).
What are the key properties of 4-bromo-3-methoxy-N-[5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]benzamide?
4-bromo-3-methoxy-N-[5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]benzamide has a molecular weight of 485.38 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methoxy-N-[5-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]benzamide is sourced from PubChem (CID 152679693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).