N-(1-phenylethyl)-4-piperidin-1-ylquinazoline-6-carboxamide

C22H24N4O — CID 71842432

IUPACN-(1-phenylethyl)-4-piperidin-1-ylquinazoline-6-carboxamide
SMILESCC(NC(=O)c1ccc2ncnc(N3CCCCC3)c2c1)c1ccccc1
InChIInChI=1S/C22H24N4O/c1-16(17-8-4-2-5-9-17)25-22(27)18-10-11-20-19(14-18)21(24-15-23-20)26-12-6-3-7-13-26/h2,4-5,8-11,14-16H,3,6-7,12-13H2,1H3,(H,25,27)
InChIKeyKGYYDXZQHMCJLV-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.11
Rot. Bonds4

About N-(1-phenylethyl)-4-piperidin-1-ylquinazoline-6-carboxamide

N-(1-phenylethyl)-4-piperidin-1-ylquinazoline-6-carboxamide (PubChem CID 71842432) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(1-phenylethyl)-4-piperidin-1-ylquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-4-piperidin-1-ylquinazoline-6-carboxamide
PubChem CID71842432
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(1-phenylethyl)-4-piperidin-1-ylquinazoline-6-carboxamide
SMILESCC(NC(=O)c1ccc2ncnc(N3CCCCC3)c2c1)c1ccccc1
InChIInChI=1S/C22H24N4O/c1-16(17-8-4-2-5-9-17)25-22(27)18-10-11-20-19(14-18)21(24-15-23-20)26-12-6-3-7-13-26/h2,4-5,8-11,14-16H,3,6-7,12-13H2,1H3,(H,25,27)
InChIKeyKGYYDXZQHMCJLV-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide
CID 71830080
N-butan-2-yl-4-pyrrolidin-1-ylquinazoline-6-carboxamide
CID 71842520
4-piperidin-1-yl-N-(pyridin-2-ylmethyl)quinazoline-6-carboxamide
CID 71842437
2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256389
N-butan-2-yl-4-morpholin-4-ylquinazoline-6-carboxamide
CID 71842372
N-[(2-ethoxyphenyl)methyl]-4-piperidin-1-ylquinazoline-6-carboxamide
CID 71842381
N-[[4-(dimethylamino)phenyl]methyl]-4-piperidin-1-ylquinazoline-6-carboxamide
CID 71830338
4-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)quinazoline-6-carboxamide
CID 71842451
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide
CID 71842457
N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225708
N-(3-methylbutyl)-4-morpholin-4-ylquinazoline-6-carboxamide
CID 71842358
5-(azepan-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280802

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-4-piperidin-1-ylquinazoline-6-carboxamide?
The IUPAC name of N-(1-phenylethyl)-4-piperidin-1-ylquinazoline-6-carboxamide (CID 71842432) is N-(1-phenylethyl)-4-piperidin-1-ylquinazoline-6-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-4-piperidin-1-ylquinazoline-6-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-4-piperidin-1-ylquinazoline-6-carboxamide is CC(NC(=O)c1ccc2ncnc(N3CCCCC3)c2c1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-4-piperidin-1-ylquinazoline-6-carboxamide?
The InChIKey is KGYYDXZQHMCJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16(17-8-4-2-5-9-17)25-22(27)18-10-11-20-19(14-18)21(24-15-23-20)26-12-6-3-7-13-26/h2,4-5,8-11,14-16H,3,6-7,12-13H2,1H3,(H,25,27).
What are the key properties of N-(1-phenylethyl)-4-piperidin-1-ylquinazoline-6-carboxamide?
N-(1-phenylethyl)-4-piperidin-1-ylquinazoline-6-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-4-piperidin-1-ylquinazoline-6-carboxamide is sourced from PubChem (CID 71842432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).