(1R,2R,3S)-3-[(6,7-dimethoxyquinolin-4-yl)amino]-2-pyrazol-1-ylcyclobutan-1-ol

C18H20N4O3 — CID 167766095

IUPAC(1R,2R,3S)-3-[(6,7-dimethoxyquinolin-4-yl)amino]-2-pyrazol-1-ylcyclobutan-1-ol
SMILESCOc1cc2nccc(N[C@H]3C[C@@H](O)[C@@H]3n3cccn3)c2cc1OC
InChIInChI=1S/C18H20N4O3/c1-24-16-8-11-12(4-6-19-13(11)10-17(16)25-2)21-14-9-15(23)18(14)22-7-3-5-20-22/h3-8,10,14-15,18,23H,9H2,1-2H3,(H,19,21)/t14-,15+,18+/m0/s1
InChIKeyGTPCNICIFVTYHK-HDMKZQKVSA-N
MW340.38 g/mol
LogP2.23
Rot. Bonds5

About (1R,2R,3S)-3-[(6,7-dimethoxyquinolin-4-yl)amino]-2-pyrazol-1-ylcyclobutan-1-ol

(1R,2R,3S)-3-[(6,7-dimethoxyquinolin-4-yl)amino]-2-pyrazol-1-ylcyclobutan-1-ol (PubChem CID 167766095) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is (1R,2R,3S)-3-[(6,7-dimethoxyquinolin-4-yl)amino]-2-pyrazol-1-ylcyclobutan-1-ol.

Molecular Properties

Compound Name(1R,2R,3S)-3-[(6,7-dimethoxyquinolin-4-yl)amino]-2-pyrazol-1-ylcyclobutan-1-ol
PubChem CID167766095
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name(1R,2R,3S)-3-[(6,7-dimethoxyquinolin-4-yl)amino]-2-pyrazol-1-ylcyclobutan-1-ol
SMILESCOc1cc2nccc(N[C@H]3C[C@@H](O)[C@@H]3n3cccn3)c2cc1OC
InChIInChI=1S/C18H20N4O3/c1-24-16-8-11-12(4-6-19-13(11)10-17(16)25-2)21-14-9-15(23)18(14)22-7-3-5-20-22/h3-8,10,14-15,18,23H,9H2,1-2H3,(H,19,21)/t14-,15+,18+/m0/s1
InChIKeyGTPCNICIFVTYHK-HDMKZQKVSA-N
XLogP2.23
TPSA81.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1R,2R,3S)-3-[(6,7-dimethoxyquinolin-4-yl)amino]-2-pyrazol-1-ylcyclobutan-1-ol with MolForge

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Related Compounds

6,7-dimethoxy-N-methylquinolin-4-amine
CID 62190466
trans-(1S,2S)-2-[(6,7-diethoxyquinolin-4-yl)amino]cyclohexan-1-ol
CID 133495450
N-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine
CID 53264749
2-[(6,7-dimethoxyquinolin-4-yl)amino]ethanol
CID 159856965
[4-[(6,7-dimethoxyquinolin-4-yl)amino]cyclohexyl]methanesulfonamide
CID 158306742
6,7-dimethoxy-4-[[4-(sulfinatoamino)cyclohexyl]amino]quinoline
CID 155099947
cyclohexyl-[3-[(6,7-dimethoxyquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 166237055
methane;4,6,7-trimethoxyquinoline
CID 157066291
3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride
CID 22646651
6,7-dimethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 53264717
1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone
CID 53264744
7-methoxy-4-(4-pyrazol-1-ylanilino)quinoline-6-carboxamide
CID 166521152

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S)-3-[(6,7-dimethoxyquinolin-4-yl)amino]-2-pyrazol-1-ylcyclobutan-1-ol?
The IUPAC name of (1R,2R,3S)-3-[(6,7-dimethoxyquinolin-4-yl)amino]-2-pyrazol-1-ylcyclobutan-1-ol (CID 167766095) is (1R,2R,3S)-3-[(6,7-dimethoxyquinolin-4-yl)amino]-2-pyrazol-1-ylcyclobutan-1-ol.
What is the SMILES notation for (1R,2R,3S)-3-[(6,7-dimethoxyquinolin-4-yl)amino]-2-pyrazol-1-ylcyclobutan-1-ol?
The canonical SMILES for (1R,2R,3S)-3-[(6,7-dimethoxyquinolin-4-yl)amino]-2-pyrazol-1-ylcyclobutan-1-ol is COc1cc2nccc(N[C@H]3C[C@@H](O)[C@@H]3n3cccn3)c2cc1OC.
What is the InChIKey of (1R,2R,3S)-3-[(6,7-dimethoxyquinolin-4-yl)amino]-2-pyrazol-1-ylcyclobutan-1-ol?
The InChIKey is GTPCNICIFVTYHK-HDMKZQKVSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-24-16-8-11-12(4-6-19-13(11)10-17(16)25-2)21-14-9-15(23)18(14)22-7-3-5-20-22/h3-8,10,14-15,18,23H,9H2,1-2H3,(H,19,21)/t14-,15+,18+/m0/s1.
What are the key properties of (1R,2R,3S)-3-[(6,7-dimethoxyquinolin-4-yl)amino]-2-pyrazol-1-ylcyclobutan-1-ol?
(1R,2R,3S)-3-[(6,7-dimethoxyquinolin-4-yl)amino]-2-pyrazol-1-ylcyclobutan-1-ol has a molecular weight of 340.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S)-3-[(6,7-dimethoxyquinolin-4-yl)amino]-2-pyrazol-1-ylcyclobutan-1-ol is sourced from PubChem (CID 167766095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).