1-(6-bromoquinazolin-2-yl)-N-methylpiperidine-4-carboxamide

C15H17BrN4O — CID 171691467

IUPAC1-(6-bromoquinazolin-2-yl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ncc3cc(Br)ccc3n2)CC1
InChIInChI=1S/C15H17BrN4O/c1-17-14(21)10-4-6-20(7-5-10)15-18-9-11-8-12(16)2-3-13(11)19-15/h2-3,8-10H,4-7H2,1H3,(H,17,21)
InChIKeyUZPWNWYMPCZISN-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.35
Rot. Bonds2

About 1-(6-bromoquinazolin-2-yl)-N-methylpiperidine-4-carboxamide

1-(6-bromoquinazolin-2-yl)-N-methylpiperidine-4-carboxamide (PubChem CID 171691467) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 1-(6-bromoquinazolin-2-yl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-bromoquinazolin-2-yl)-N-methylpiperidine-4-carboxamide
PubChem CID171691467
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name1-(6-bromoquinazolin-2-yl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ncc3cc(Br)ccc3n2)CC1
InChIInChI=1S/C15H17BrN4O/c1-17-14(21)10-4-6-20(7-5-10)15-18-9-11-8-12(16)2-3-13(11)19-15/h2-3,8-10H,4-7H2,1H3,(H,17,21)
InChIKeyUZPWNWYMPCZISN-UHFFFAOYSA-N
XLogP2.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromoquinazolin-2-yl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(6-bromoquinazolin-2-yl)-N-methylpiperidine-4-carboxamide (CID 171691467) is 1-(6-bromoquinazolin-2-yl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(6-bromoquinazolin-2-yl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(6-bromoquinazolin-2-yl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2ncc3cc(Br)ccc3n2)CC1.
What is the InChIKey of 1-(6-bromoquinazolin-2-yl)-N-methylpiperidine-4-carboxamide?
The InChIKey is UZPWNWYMPCZISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-17-14(21)10-4-6-20(7-5-10)15-18-9-11-8-12(16)2-3-13(11)19-15/h2-3,8-10H,4-7H2,1H3,(H,17,21).
What are the key properties of 1-(6-bromoquinazolin-2-yl)-N-methylpiperidine-4-carboxamide?
1-(6-bromoquinazolin-2-yl)-N-methylpiperidine-4-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromoquinazolin-2-yl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 171691467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).