N-butan-2-yl-4-piperidin-1-ylquinazoline-6-carboxamide

C18H24N4O — CID 71842433

IUPACN-butan-2-yl-4-piperidin-1-ylquinazoline-6-carboxamide
SMILESCCC(C)NC(=O)c1ccc2ncnc(N3CCCCC3)c2c1
InChIInChI=1S/C18H24N4O/c1-3-13(2)21-18(23)14-7-8-16-15(11-14)17(20-12-19-16)22-9-5-4-6-10-22/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,21,23)
InChIKeyZUNIXSPQSFZLSN-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.15
Rot. Bonds4

About N-butan-2-yl-4-piperidin-1-ylquinazoline-6-carboxamide

N-butan-2-yl-4-piperidin-1-ylquinazoline-6-carboxamide (PubChem CID 71842433) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-butan-2-yl-4-piperidin-1-ylquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-piperidin-1-ylquinazoline-6-carboxamide
PubChem CID71842433
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-butan-2-yl-4-piperidin-1-ylquinazoline-6-carboxamide
SMILESCCC(C)NC(=O)c1ccc2ncnc(N3CCCCC3)c2c1
InChIInChI=1S/C18H24N4O/c1-3-13(2)21-18(23)14-7-8-16-15(11-14)17(20-12-19-16)22-9-5-4-6-10-22/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,21,23)
InChIKeyZUNIXSPQSFZLSN-UHFFFAOYSA-N
XLogP3.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-piperidin-1-ylquinazoline-6-carboxamide?
The IUPAC name of N-butan-2-yl-4-piperidin-1-ylquinazoline-6-carboxamide (CID 71842433) is N-butan-2-yl-4-piperidin-1-ylquinazoline-6-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-piperidin-1-ylquinazoline-6-carboxamide?
The canonical SMILES for N-butan-2-yl-4-piperidin-1-ylquinazoline-6-carboxamide is CCC(C)NC(=O)c1ccc2ncnc(N3CCCCC3)c2c1.
What is the InChIKey of N-butan-2-yl-4-piperidin-1-ylquinazoline-6-carboxamide?
The InChIKey is ZUNIXSPQSFZLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-13(2)21-18(23)14-7-8-16-15(11-14)17(20-12-19-16)22-9-5-4-6-10-22/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,21,23).
What are the key properties of N-butan-2-yl-4-piperidin-1-ylquinazoline-6-carboxamide?
N-butan-2-yl-4-piperidin-1-ylquinazoline-6-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-piperidin-1-ylquinazoline-6-carboxamide is sourced from PubChem (CID 71842433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).