N-methylsulfanyl-1-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-yl]methanamine

C20H23N5S — CID 142582671

IUPACN-methylsulfanyl-1-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-yl]methanamine
SMILESCSNCC1CCCN(c2nc(-c3ccncc3)nc3ccccc23)C1
InChIInChI=1S/C20H23N5S/c1-26-22-13-15-5-4-12-25(14-15)20-17-6-2-3-7-18(17)23-19(24-20)16-8-10-21-11-9-16/h2-3,6-11,15,22H,4-5,12-14H2,1H3
InChIKeyGQEVNMWHEKADGF-UHFFFAOYSA-N
MW365.51 g/mol
LogP3.78
Rot. Bonds5

About N-methylsulfanyl-1-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-yl]methanamine

N-methylsulfanyl-1-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-yl]methanamine (PubChem CID 142582671) has the molecular formula C20H23N5S and a molecular weight of 365.51 g/mol. Its IUPAC name is N-methylsulfanyl-1-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methylsulfanyl-1-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-yl]methanamine
PubChem CID142582671
Molecular FormulaC20H23N5S
Molecular Weight365.51 g/mol
Exact Mass365.17
IUPAC NameN-methylsulfanyl-1-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-yl]methanamine
SMILESCSNCC1CCCN(c2nc(-c3ccncc3)nc3ccccc23)C1
InChIInChI=1S/C20H23N5S/c1-26-22-13-15-5-4-12-25(14-15)20-17-6-2-3-7-18(17)23-19(24-20)16-8-10-21-11-9-16/h2-3,6-11,15,22H,4-5,12-14H2,1H3
InChIKeyGQEVNMWHEKADGF-UHFFFAOYSA-N
XLogP3.78
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methylsulfanyl-1-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-yl]methanamine 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

1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol
CID 11415528
2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline
CID 659763
4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-2-pyridin-4-ylquinazoline
CID 133315668
4-piperidin-1-yl-2-pyridin-4-ylquinazoline
CID 820815
2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide
CID 133355934
4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline
CID 133292066
4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline
CID 133396172
2-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline
CID 20963253
(3S)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-3-carboxamide
CID 94434184
N-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-4-yl]acetamide
CID 49431018
2-chloro-4-(3-ethylpiperidin-1-yl)quinazoline
CID 62478018
(2R)-1-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]propan-2-ol
CID 95150705

Frequently Asked Questions

What is the IUPAC name of N-methylsulfanyl-1-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-yl]methanamine?
The IUPAC name of N-methylsulfanyl-1-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-yl]methanamine (CID 142582671) is N-methylsulfanyl-1-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for N-methylsulfanyl-1-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-yl]methanamine?
The canonical SMILES for N-methylsulfanyl-1-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-yl]methanamine is CSNCC1CCCN(c2nc(-c3ccncc3)nc3ccccc23)C1.
What is the InChIKey of N-methylsulfanyl-1-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-yl]methanamine?
The InChIKey is GQEVNMWHEKADGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5S/c1-26-22-13-15-5-4-12-25(14-15)20-17-6-2-3-7-18(17)23-19(24-20)16-8-10-21-11-9-16/h2-3,6-11,15,22H,4-5,12-14H2,1H3.
What are the key properties of N-methylsulfanyl-1-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-yl]methanamine?
N-methylsulfanyl-1-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-yl]methanamine has a molecular weight of 365.51 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfanyl-1-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 142582671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).