(6S)-N-[[4-(diethylamino)phenyl]methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide

C25H35N5O — CID 95112007

IUPAC(6S)-N-[[4-(diethylamino)phenyl]methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCCN(CC)c1ccc(CNC(=O)[C@H]2CCc3nc(N4CCCCC4)ncc3C2)cc1
InChIInChI=1S/C25H35N5O/c1-3-29(4-2)22-11-8-19(9-12-22)17-26-24(31)20-10-13-23-21(16-20)18-27-25(28-23)30-14-6-5-7-15-30/h8-9,11-12,18,20H,3-7,10,13-17H2,1-2H3,(H,26,31)/t20-/m0/s1
InChIKeyNFMCLHXAZKBAFS-FQEVSTJZSA-N
MW421.59 g/mol
LogP3.73
Rot. Bonds7

About (6S)-N-[[4-(diethylamino)phenyl]methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide

(6S)-N-[[4-(diethylamino)phenyl]methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (PubChem CID 95112007) has the molecular formula C25H35N5O and a molecular weight of 421.59 g/mol. Its IUPAC name is (6S)-N-[[4-(diethylamino)phenyl]methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-[[4-(diethylamino)phenyl]methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
PubChem CID95112007
Molecular FormulaC25H35N5O
Molecular Weight421.59 g/mol
Exact Mass421.28
IUPAC Name(6S)-N-[[4-(diethylamino)phenyl]methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCCN(CC)c1ccc(CNC(=O)[C@H]2CCc3nc(N4CCCCC4)ncc3C2)cc1
InChIInChI=1S/C25H35N5O/c1-3-29(4-2)22-11-8-19(9-12-22)17-26-24(31)20-10-13-23-21(16-20)18-27-25(28-23)30-14-6-5-7-15-30/h8-9,11-12,18,20H,3-7,10,13-17H2,1-2H3,(H,26,31)/t20-/m0/s1
InChIKeyNFMCLHXAZKBAFS-FQEVSTJZSA-N
XLogP3.73
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (6S)-N-[[4-(diethylamino)phenyl]methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(diethylamino)phenyl]methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 53193997
(6R)-N-[[4-(diethylamino)phenyl]methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112148
N-[2-(N-ethylanilino)ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 53193902
2-piperidin-1-yl-N-propyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836110
N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836090
N-[(4-chlorophenyl)methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836063
(6S)-N-butyl-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 129369349
(6S)-2-morpholin-4-yl-N-[(4-propoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112147
N-[3-(N-methylanilino)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 53193917
(6R)-N-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95111936
(6R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112000
(3R)-N-[[4-(diethylamino)phenyl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 95115712

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[[4-(diethylamino)phenyl]methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The IUPAC name of (6S)-N-[[4-(diethylamino)phenyl]methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (CID 95112007) is (6S)-N-[[4-(diethylamino)phenyl]methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.
What is the SMILES notation for (6S)-N-[[4-(diethylamino)phenyl]methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The canonical SMILES for (6S)-N-[[4-(diethylamino)phenyl]methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is CCN(CC)c1ccc(CNC(=O)[C@H]2CCc3nc(N4CCCCC4)ncc3C2)cc1.
What is the InChIKey of (6S)-N-[[4-(diethylamino)phenyl]methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The InChIKey is NFMCLHXAZKBAFS-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H35N5O/c1-3-29(4-2)22-11-8-19(9-12-22)17-26-24(31)20-10-13-23-21(16-20)18-27-25(28-23)30-14-6-5-7-15-30/h8-9,11-12,18,20H,3-7,10,13-17H2,1-2H3,(H,26,31)/t20-/m0/s1.
What are the key properties of (6S)-N-[[4-(diethylamino)phenyl]methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
(6S)-N-[[4-(diethylamino)phenyl]methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide has a molecular weight of 421.59 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[[4-(diethylamino)phenyl]methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is sourced from PubChem (CID 95112007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).