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

C22H18N4O3 — CID 2278455

IUPAC7-[(R)-[(4-methyl-2-pyridinyl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol
SMILESCc1ccnc(N[C@H](c2cccc([N+](=O)[O-])c2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C22H18N4O3/c1-14-9-11-23-19(12-14)25-20(16-4-2-6-17(13-16)26(28)29)18-8-7-15-5-3-10-24-21(15)22(18)27/h2-13,20,27H,1H3,(H,23,25)/t20-/m1/s1
InChIKeyCKWCYYXSFATAIE-HXUWFJFHSA-N
MW386.41 g/mol
LogP4.75
Rot. Bonds5

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

7-[(R)-[(4-methyl-2-pyridinyl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol (PubChem CID 2278455) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 7-[(R)-[(4-methyl-2-pyridinyl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(R)-[(4-methyl-2-pyridinyl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol
PubChem CID2278455
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name7-[(R)-[(4-methyl-2-pyridinyl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol
SMILESCc1ccnc(N[C@H](c2cccc([N+](=O)[O-])c2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C22H18N4O3/c1-14-9-11-23-19(12-14)25-20(16-4-2-6-17(13-16)26(28)29)18-8-7-15-5-3-10-24-21(15)22(18)27/h2-13,20,27H,1H3,(H,23,25)/t20-/m1/s1
InChIKeyCKWCYYXSFATAIE-HXUWFJFHSA-N
XLogP4.75
TPSA101.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol
CID 703326
cadmium;bis(7-[(3-nitroanilino)-phenylmethyl]quinolin-8-ol)
CID 10509772
N-[(R)-(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]butanamide
CID 7064514
7-[[(4-methyl-2-pyridinyl)amino]-(3-prop-2-enoxyphenyl)methyl]quinolin-8-ol
CID 2940653
7-[(4-ethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 2906981
7-[(S)-[4-(dimethylamino)phenyl]-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 7012609
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
7-[(3-bromophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 2944009
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-[(R)-[(4-methyl-2-pyridinyl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol?
The IUPAC name of 7-[(R)-[(4-methyl-2-pyridinyl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol (CID 2278455) is 7-[(R)-[(4-methyl-2-pyridinyl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(R)-[(4-methyl-2-pyridinyl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(R)-[(4-methyl-2-pyridinyl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol is Cc1ccnc(N[C@H](c2cccc([N+](=O)[O-])c2)c2ccc3cccnc3c2O)c1.
What is the InChIKey of 7-[(R)-[(4-methyl-2-pyridinyl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol?
The InChIKey is CKWCYYXSFATAIE-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-14-9-11-23-19(12-14)25-20(16-4-2-6-17(13-16)26(28)29)18-8-7-15-5-3-10-24-21(15)22(18)27/h2-13,20,27H,1H3,(H,23,25)/t20-/m1/s1.
What are the key properties of 7-[(R)-[(4-methyl-2-pyridinyl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol?
7-[(R)-[(4-methyl-2-pyridinyl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol has a molecular weight of 386.41 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(R)-[(4-methyl-2-pyridinyl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol is sourced from PubChem (CID 2278455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).