3-(dimethylamino)-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide

C22H25N5O — CID 53137440

IUPAC3-(dimethylamino)-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccc3c(N4CCCCC4)ncnc3c2)c1
InChIInChI=1S/C22H25N5O/c1-26(2)18-8-6-7-16(13-18)22(28)25-17-9-10-19-20(14-17)23-15-24-21(19)27-11-4-3-5-12-27/h6-10,13-15H,3-5,11-12H2,1-2H3,(H,25,28)
InChIKeyTVSIICPFDGCZAH-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.94
Rot. Bonds4

About 3-(dimethylamino)-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide

3-(dimethylamino)-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide (PubChem CID 53137440) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide
PubChem CID53137440
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name3-(dimethylamino)-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccc3c(N4CCCCC4)ncnc3c2)c1
InChIInChI=1S/C22H25N5O/c1-26(2)18-8-6-7-16(13-18)22(28)25-17-9-10-19-20(14-17)23-15-24-21(19)27-11-4-3-5-12-27/h6-10,13-15H,3-5,11-12H2,1-2H3,(H,25,28)
InChIKeyTVSIICPFDGCZAH-UHFFFAOYSA-N
XLogP3.94
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide
CID 53137404
N-[[4-(dimethylamino)phenyl]methyl]-4-piperidin-1-ylquinazoline-6-carboxamide
CID 71830338
N-[3-(dimethylamino)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574864
N-(1-phenylethyl)-4-piperidin-1-ylquinazoline-6-carboxamide
CID 71842432
2-ethoxy-N-(4-pyrrolidin-1-ylquinazolin-7-yl)acetamide
CID 53137372
N-butan-2-yl-4-pyrrolidin-1-ylquinazoline-6-carboxamide
CID 71842520
piperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
CID 71842473
4-piperidin-1-yl-N-(pyridin-2-ylmethyl)quinazoline-6-carboxamide
CID 71842437
3-(dimethylamino)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 7551773
4-[[3-(dimethylamino)benzoyl]amino]pyridine-2-carboxylic acid
CID 63651857
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide (CID 53137440) is 3-(dimethylamino)-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide is CN(C)c1cccc(C(=O)Nc2ccc3c(N4CCCCC4)ncnc3c2)c1.
What is the InChIKey of 3-(dimethylamino)-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide?
The InChIKey is TVSIICPFDGCZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-26(2)18-8-6-7-16(13-18)22(28)25-17-9-10-19-20(14-17)23-15-24-21(19)27-11-4-3-5-12-27/h6-10,13-15H,3-5,11-12H2,1-2H3,(H,25,28).
What are the key properties of 3-(dimethylamino)-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide?
3-(dimethylamino)-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide has a molecular weight of 375.48 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide is sourced from PubChem (CID 53137440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).