4-[(2-methylquinolin-4-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol

C26H32N4O — CID 13362496

IUPAC4-[(2-methylquinolin-4-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol
SMILESCc1cc(Nc2cc(CN3CCCC3)c(O)c(CN3CCCC3)c2)c2ccccc2n1
InChIInChI=1S/C26H32N4O/c1-19-14-25(23-8-2-3-9-24(23)27-19)28-22-15-20(17-29-10-4-5-11-29)26(31)21(16-22)18-30-12-6-7-13-30/h2-3,8-9,14-16,31H,4-7,10-13,17-18H2,1H3,(H,27,28)
InChIKeySKNAOUOYPRJMQV-UHFFFAOYSA-N
MW416.57 g/mol
LogP5.18
Rot. Bonds6

About 4-[(2-methylquinolin-4-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol

4-[(2-methylquinolin-4-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol (PubChem CID 13362496) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 4-[(2-methylquinolin-4-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol.

Molecular Properties

Compound Name4-[(2-methylquinolin-4-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol
PubChem CID13362496
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name4-[(2-methylquinolin-4-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol
SMILESCc1cc(Nc2cc(CN3CCCC3)c(O)c(CN3CCCC3)c2)c2ccccc2n1
InChIInChI=1S/C26H32N4O/c1-19-14-25(23-8-2-3-9-24(23)27-19)28-22-15-20(17-29-10-4-5-11-29)26(31)21(16-22)18-30-12-6-7-13-30/h2-3,8-9,14-16,31H,4-7,10-13,17-18H2,1H3,(H,27,28)
InChIKeySKNAOUOYPRJMQV-UHFFFAOYSA-N
XLogP5.18
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 55.18
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 4-[(2-methylquinolin-4-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)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

4-[(2-methylquinolin-4-yl)amino]phenol
CID 939157
2,6-bis(pyrrolidin-1-ylmethyl)-4-(thieno[3,2-c]quinolin-4-ylamino)phenol;trihydrochloride
CID 11570460
2,4-bis(piperidin-1-ylmethyl)-6-[[2-(trifluoromethyl)quinolin-4-yl]amino]phenol
CID 10028867
2-methyl-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10859009
2-methyl-N-[3-(3-piperidin-1-ylpropoxy)-5-(trifluoromethyl)phenyl]quinolin-4-amine
CID 59644155
2-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)quinolin-4-amine
CID 71899453
3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[(2-methylquinolin-4-yl)amino]benzamide
CID 58958075
N-[4-(chloromethyl)phenyl]-2-methylquinolin-4-amine
CID 65029424
N-(2-methylquinolin-4-yl)azepane-1-carboxamide
CID 115882563
N-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119918724
3-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-4-ol
CID 114502310

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylquinolin-4-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol?
The IUPAC name of 4-[(2-methylquinolin-4-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol (CID 13362496) is 4-[(2-methylquinolin-4-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol.
What is the SMILES notation for 4-[(2-methylquinolin-4-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol?
The canonical SMILES for 4-[(2-methylquinolin-4-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol is Cc1cc(Nc2cc(CN3CCCC3)c(O)c(CN3CCCC3)c2)c2ccccc2n1.
What is the InChIKey of 4-[(2-methylquinolin-4-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol?
The InChIKey is SKNAOUOYPRJMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-19-14-25(23-8-2-3-9-24(23)27-19)28-22-15-20(17-29-10-4-5-11-29)26(31)21(16-22)18-30-12-6-7-13-30/h2-3,8-9,14-16,31H,4-7,10-13,17-18H2,1H3,(H,27,28).
What are the key properties of 4-[(2-methylquinolin-4-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol?
4-[(2-methylquinolin-4-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol has a molecular weight of 416.57 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylquinolin-4-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol is sourced from PubChem (CID 13362496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).