7-[(S)-[4-(dimethylamino)phenyl]-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol

C24H24N4O — CID 7012609

IUPAC7-[(S)-[4-(dimethylamino)phenyl]-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
SMILESCc1ccnc(N[C@@H](c2ccc(N(C)C)cc2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C24H24N4O/c1-16-12-14-25-21(15-16)27-22(18-6-9-19(10-7-18)28(2)3)20-11-8-17-5-4-13-26-23(17)24(20)29/h4-15,22,29H,1-3H3,(H,25,27)/t22-/m0/s1
InChIKeyXFTMHNBUYOONGV-QFIPXVFZSA-N
MW384.48 g/mol
LogP4.91
Rot. Bonds5

About 7-[(S)-[4-(dimethylamino)phenyl]-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol

7-[(S)-[4-(dimethylamino)phenyl]-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol (PubChem CID 7012609) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 7-[(S)-[4-(dimethylamino)phenyl]-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(S)-[4-(dimethylamino)phenyl]-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
PubChem CID7012609
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name7-[(S)-[4-(dimethylamino)phenyl]-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
SMILESCc1ccnc(N[C@@H](c2ccc(N(C)C)cc2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C24H24N4O/c1-16-12-14-25-21(15-16)27-22(18-6-9-19(10-7-18)28(2)3)20-11-8-17-5-4-13-26-23(17)24(20)29/h4-15,22,29H,1-3H3,(H,25,27)/t22-/m0/s1
InChIKeyXFTMHNBUYOONGV-QFIPXVFZSA-N
XLogP4.91
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[(4-ethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 2906981
7-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol
CID 703326
7-[(4-ethoxy-3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 2906710
7-[(3-ethoxy-4-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 2907339
7-[(R)-(2-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 7500417
7-[(R)-(2-chloro-6-fluorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 1335597
N-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide
CID 7064517
7-[(R)-[(4-methyl-2-pyridinyl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol
CID 2278455
7-[(R)-(4-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 1347792
7-[(R)-(3-chloro-4,5-diethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 2221476
7-[[(4-methyl-2-pyridinyl)amino]-(3-prop-2-enoxyphenyl)methyl]quinolin-8-ol
CID 2940653
7-[(3-ethoxy-4-phenylmethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 2895088

Frequently Asked Questions

What is the IUPAC name of 7-[(S)-[4-(dimethylamino)phenyl]-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The IUPAC name of 7-[(S)-[4-(dimethylamino)phenyl]-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol (CID 7012609) is 7-[(S)-[4-(dimethylamino)phenyl]-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(S)-[4-(dimethylamino)phenyl]-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The canonical SMILES for 7-[(S)-[4-(dimethylamino)phenyl]-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol is Cc1ccnc(N[C@@H](c2ccc(N(C)C)cc2)c2ccc3cccnc3c2O)c1.
What is the InChIKey of 7-[(S)-[4-(dimethylamino)phenyl]-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The InChIKey is XFTMHNBUYOONGV-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H24N4O/c1-16-12-14-25-21(15-16)27-22(18-6-9-19(10-7-18)28(2)3)20-11-8-17-5-4-13-26-23(17)24(20)29/h4-15,22,29H,1-3H3,(H,25,27)/t22-/m0/s1.
What are the key properties of 7-[(S)-[4-(dimethylamino)phenyl]-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
7-[(S)-[4-(dimethylamino)phenyl]-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol has a molecular weight of 384.48 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(S)-[4-(dimethylamino)phenyl]-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol is sourced from PubChem (CID 7012609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).