N-[[4-(dimethylamino)phenyl]methyl]-4-piperidin-1-ylquinazoline-6-carboxamide

C23H27N5O — CID 71830338

IUPACN-[[4-(dimethylamino)phenyl]methyl]-4-piperidin-1-ylquinazoline-6-carboxamide
SMILESCN(C)c1ccc(CNC(=O)c2ccc3ncnc(N4CCCCC4)c3c2)cc1
InChIInChI=1S/C23H27N5O/c1-27(2)19-9-6-17(7-10-19)15-24-23(29)18-8-11-21-20(14-18)22(26-16-25-21)28-12-4-3-5-13-28/h6-11,14,16H,3-5,12-13,15H2,1-2H3,(H,24,29)
InChIKeyODKRPOCDJPLYFT-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.62
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-4-piperidin-1-ylquinazoline-6-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-4-piperidin-1-ylquinazoline-6-carboxamide (PubChem CID 71830338) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-4-piperidin-1-ylquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-4-piperidin-1-ylquinazoline-6-carboxamide
PubChem CID71830338
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-4-piperidin-1-ylquinazoline-6-carboxamide
SMILESCN(C)c1ccc(CNC(=O)c2ccc3ncnc(N4CCCCC4)c3c2)cc1
InChIInChI=1S/C23H27N5O/c1-27(2)19-9-6-17(7-10-19)15-24-23(29)18-8-11-21-20(14-18)22(26-16-25-21)28-12-4-3-5-13-28/h6-11,14,16H,3-5,12-13,15H2,1-2H3,(H,24,29)
InChIKeyODKRPOCDJPLYFT-UHFFFAOYSA-N
XLogP3.62
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-piperidin-1-yl-N-(pyridin-2-ylmethyl)quinazoline-6-carboxamide
CID 71842437
N-[[4-(dimethylamino)phenyl]methyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide
CID 50848231
N-[(2-ethoxyphenyl)methyl]-4-piperidin-1-ylquinazoline-6-carboxamide
CID 71842381
4-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)quinazoline-6-carboxamide
CID 71842451
3-(dimethylamino)-N-(4-piperidin-1-ylquinazolin-7-yl)benzamide
CID 53137440
N-butan-2-yl-4-pyrrolidin-1-ylquinazoline-6-carboxamide
CID 71842520
piperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
CID 71842473
N-(1-phenylethyl)-4-piperidin-1-ylquinazoline-6-carboxamide
CID 71842432
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide
CID 71842457
N-(3-methylbutyl)-4-morpholin-4-ylquinazoline-6-carboxamide
CID 71842358
N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 37216605
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 46981532

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-piperidin-1-ylquinazoline-6-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-piperidin-1-ylquinazoline-6-carboxamide (CID 71830338) is N-[[4-(dimethylamino)phenyl]methyl]-4-piperidin-1-ylquinazoline-6-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-4-piperidin-1-ylquinazoline-6-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-4-piperidin-1-ylquinazoline-6-carboxamide is CN(C)c1ccc(CNC(=O)c2ccc3ncnc(N4CCCCC4)c3c2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-4-piperidin-1-ylquinazoline-6-carboxamide?
The InChIKey is ODKRPOCDJPLYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-27(2)19-9-6-17(7-10-19)15-24-23(29)18-8-11-21-20(14-18)22(26-16-25-21)28-12-4-3-5-13-28/h6-11,14,16H,3-5,12-13,15H2,1-2H3,(H,24,29).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-4-piperidin-1-ylquinazoline-6-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-4-piperidin-1-ylquinazoline-6-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-4-piperidin-1-ylquinazoline-6-carboxamide is sourced from PubChem (CID 71830338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).