2-methyl-7-[(R)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]quinolin-8-ol

C21H19N3OS — CID 1228768

IUPAC2-methyl-7-[(R)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]quinolin-8-ol
SMILESCc1ccnc(N[C@@H](c2ccsc2)c2ccc3ccc(C)nc3c2O)c1
InChIInChI=1S/C21H19N3OS/c1-13-7-9-22-18(11-13)24-19(16-8-10-26-12-16)17-6-5-15-4-3-14(2)23-20(15)21(17)25/h3-12,19,25H,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyYTLGWADVUKISIA-IBGZPJMESA-N
MW361.47 g/mol
LogP5.22
Rot. Bonds4

About 2-methyl-7-[(R)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]quinolin-8-ol

2-methyl-7-[(R)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]quinolin-8-ol (PubChem CID 1228768) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-methyl-7-[(R)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name2-methyl-7-[(R)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]quinolin-8-ol
PubChem CID1228768
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name2-methyl-7-[(R)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]quinolin-8-ol
SMILESCc1ccnc(N[C@@H](c2ccsc2)c2ccc3ccc(C)nc3c2O)c1
InChIInChI=1S/C21H19N3OS/c1-13-7-9-22-18(11-13)24-19(16-8-10-26-12-16)17-6-5-15-4-3-14(2)23-20(15)21(17)25/h3-12,19,25H,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyYTLGWADVUKISIA-IBGZPJMESA-N
XLogP5.22
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methyl-7-[(R)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]quinolin-8-ol with MolForge

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Related Compounds

7-[(R)-(4-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 1347792
7-[(3-bromophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 2944009
7-[(R)-(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 1020375
7-[(R)-(3-chloro-4,5-dimethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 1303334
7-[[4-chloro-3-(fluoromethyl)phenyl]-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 90277387
7-[(S)-[4-(dimethylamino)phenyl]-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 7012609
7-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol
CID 703326
7-[(4-ethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 2906981
7-[(R)-(4-bromophenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
CID 2056411
7-[(S)-(4-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 2054369
2-methyl-7-[(2-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2907464
7-[(R)-[(4-methyl-2-pyridinyl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol
CID 2278455

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[(R)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]quinolin-8-ol?
The IUPAC name of 2-methyl-7-[(R)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]quinolin-8-ol (CID 1228768) is 2-methyl-7-[(R)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 2-methyl-7-[(R)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]quinolin-8-ol?
The canonical SMILES for 2-methyl-7-[(R)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]quinolin-8-ol is Cc1ccnc(N[C@@H](c2ccsc2)c2ccc3ccc(C)nc3c2O)c1.
What is the InChIKey of 2-methyl-7-[(R)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]quinolin-8-ol?
The InChIKey is YTLGWADVUKISIA-IBGZPJMESA-N. The full InChI is InChI=1S/C21H19N3OS/c1-13-7-9-22-18(11-13)24-19(16-8-10-26-12-16)17-6-5-15-4-3-14(2)23-20(15)21(17)25/h3-12,19,25H,1-2H3,(H,22,24)/t19-/m0/s1.
What are the key properties of 2-methyl-7-[(R)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]quinolin-8-ol?
2-methyl-7-[(R)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]quinolin-8-ol has a molecular weight of 361.47 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[(R)-[(4-methyl-2-pyridinyl)amino]-thiophen-3-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 1228768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).