2-[(3-methylpiperidin-1-yl)methyl]-4-(quinazolin-4-ylamino)phenol

C21H24N4O — CID 154631150

IUPAC2-[(3-methylpiperidin-1-yl)methyl]-4-(quinazolin-4-ylamino)phenol
SMILESCC1CCCN(Cc2cc(Nc3ncnc4ccccc34)ccc2O)C1
InChIInChI=1S/C21H24N4O/c1-15-5-4-10-25(12-15)13-16-11-17(8-9-20(16)26)24-21-18-6-2-3-7-19(18)22-14-23-21/h2-3,6-9,11,14-15,26H,4-5,10,12-13H2,1H3,(H,22,23,24)
InChIKeyFIJRBYLMTAGNBB-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.31
Rot. Bonds4

About 2-[(3-methylpiperidin-1-yl)methyl]-4-(quinazolin-4-ylamino)phenol

2-[(3-methylpiperidin-1-yl)methyl]-4-(quinazolin-4-ylamino)phenol (PubChem CID 154631150) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[(3-methylpiperidin-1-yl)methyl]-4-(quinazolin-4-ylamino)phenol.

Molecular Properties

Compound Name2-[(3-methylpiperidin-1-yl)methyl]-4-(quinazolin-4-ylamino)phenol
PubChem CID154631150
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-[(3-methylpiperidin-1-yl)methyl]-4-(quinazolin-4-ylamino)phenol
SMILESCC1CCCN(Cc2cc(Nc3ncnc4ccccc34)ccc2O)C1
InChIInChI=1S/C21H24N4O/c1-15-5-4-10-25(12-15)13-16-11-17(8-9-20(16)26)24-21-18-6-2-3-7-19(18)22-14-23-21/h2-3,6-9,11,14-15,26H,4-5,10,12-13H2,1H3,(H,22,23,24)
InChIKeyFIJRBYLMTAGNBB-UHFFFAOYSA-N
XLogP4.31
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2-[(3-methylpiperidin-1-yl)methyl]-4-(quinazolin-4-ylamino)phenol 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-(4-methylpiperidin-1-yl)phenyl]quinazolin-4-amine
CID 725428
2-[(3-methylpiperidin-1-yl)methyl]-4-pyridin-3-ylphenol
CID 45249191
2-chloro-6-[(3-methylpiperidin-1-yl)methyl]phenol
CID 112553322
2-methyl-5-(quinazolin-4-ylamino)benzoic acid
CID 63652827
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62438160
2-(4-hydroxypiperidin-1-yl)-5-(quinazolin-4-ylamino)benzonitrile
CID 133324873
N-naphthalen-2-ylquinazolin-4-amine
CID 110434772
2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-6-[(3-methylpiperidin-1-yl)methyl]phenol
CID 135546135
4-[(3-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 79240395
4-methyl-6-[(3-methylpiperidin-1-yl)methyl]pyrimidine
CID 177203757
1-[(2-bromophenyl)methyl]-3-methylpiperidine
CID 60644748
(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
CID 42550070

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpiperidin-1-yl)methyl]-4-(quinazolin-4-ylamino)phenol?
The IUPAC name of 2-[(3-methylpiperidin-1-yl)methyl]-4-(quinazolin-4-ylamino)phenol (CID 154631150) is 2-[(3-methylpiperidin-1-yl)methyl]-4-(quinazolin-4-ylamino)phenol.
What is the SMILES notation for 2-[(3-methylpiperidin-1-yl)methyl]-4-(quinazolin-4-ylamino)phenol?
The canonical SMILES for 2-[(3-methylpiperidin-1-yl)methyl]-4-(quinazolin-4-ylamino)phenol is CC1CCCN(Cc2cc(Nc3ncnc4ccccc34)ccc2O)C1.
What is the InChIKey of 2-[(3-methylpiperidin-1-yl)methyl]-4-(quinazolin-4-ylamino)phenol?
The InChIKey is FIJRBYLMTAGNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-5-4-10-25(12-15)13-16-11-17(8-9-20(16)26)24-21-18-6-2-3-7-19(18)22-14-23-21/h2-3,6-9,11,14-15,26H,4-5,10,12-13H2,1H3,(H,22,23,24).
What are the key properties of 2-[(3-methylpiperidin-1-yl)methyl]-4-(quinazolin-4-ylamino)phenol?
2-[(3-methylpiperidin-1-yl)methyl]-4-(quinazolin-4-ylamino)phenol has a molecular weight of 348.45 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpiperidin-1-yl)methyl]-4-(quinazolin-4-ylamino)phenol is sourced from PubChem (CID 154631150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).