N-[(4-methylphenyl)methyl]-4-piperidin-1-ylquinazoline-2-carboxamide

C22H24N4O — CID 46349736

IUPACN-[(4-methylphenyl)methyl]-4-piperidin-1-ylquinazoline-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(N3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C22H24N4O/c1-16-9-11-17(12-10-16)15-23-22(27)20-24-19-8-4-3-7-18(19)21(25-20)26-13-5-2-6-14-26/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,23,27)
InChIKeyFBRPTENBZNBQNY-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.86
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-4-piperidin-1-ylquinazoline-2-carboxamide

N-[(4-methylphenyl)methyl]-4-piperidin-1-ylquinazoline-2-carboxamide (PubChem CID 46349736) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-4-piperidin-1-ylquinazoline-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-4-piperidin-1-ylquinazoline-2-carboxamide
PubChem CID46349736
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[(4-methylphenyl)methyl]-4-piperidin-1-ylquinazoline-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(N3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C22H24N4O/c1-16-9-11-17(12-10-16)15-23-22(27)20-24-19-8-4-3-7-18(19)21(25-20)26-13-5-2-6-14-26/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,23,27)
InChIKeyFBRPTENBZNBQNY-UHFFFAOYSA-N
XLogP3.86
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
CID 53010506
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958
2-methyl-4-piperidin-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide
CID 53190996
N-[(4-methoxyphenyl)methyl]-1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide
CID 53181390
4-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
CID 53108157
4-morpholin-4-yl-N-(2-phenylethyl)quinazoline-2-carboxamide
CID 53012870
N-[(4-methylphenyl)methyl]-2-(4-oxopiperidin-1-yl)quinoline-4-carboxamide
CID 156633574
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
4-(azepan-1-yl)-N-[(4-ethoxyphenyl)methyl]-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
CID 53108189
4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66505324
4-(azepan-1-yl)-2-methylquinazoline chloride
CID 53351740
2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide
CID 36754760

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-4-piperidin-1-ylquinazoline-2-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-4-piperidin-1-ylquinazoline-2-carboxamide (CID 46349736) is N-[(4-methylphenyl)methyl]-4-piperidin-1-ylquinazoline-2-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-4-piperidin-1-ylquinazoline-2-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-4-piperidin-1-ylquinazoline-2-carboxamide is Cc1ccc(CNC(=O)c2nc(N3CCCCC3)c3ccccc3n2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-4-piperidin-1-ylquinazoline-2-carboxamide?
The InChIKey is FBRPTENBZNBQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-9-11-17(12-10-16)15-23-22(27)20-24-19-8-4-3-7-18(19)21(25-20)26-13-5-2-6-14-26/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,23,27).
What are the key properties of N-[(4-methylphenyl)methyl]-4-piperidin-1-ylquinazoline-2-carboxamide?
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylquinazoline-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-4-piperidin-1-ylquinazoline-2-carboxamide is sourced from PubChem (CID 46349736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).