N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-1-quinolin-8-ylmethanamine

C20H20ClN5O — CID 74250660

IUPACN-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-1-quinolin-8-ylmethanamine
SMILESCc1cc(-c2nn(C)c(Cl)c2CN(C)Cc2cccc3cccnc23)no1
InChIInChI=1S/C20H20ClN5O/c1-13-10-17(24-27-13)19-16(20(21)26(3)23-19)12-25(2)11-15-7-4-6-14-8-5-9-22-18(14)15/h4-10H,11-12H2,1-3H3
InChIKeyMAGODGFHIPYVRF-UHFFFAOYSA-N
MW381.87 g/mol
LogP4.22
Rot. Bonds5

About N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-1-quinolin-8-ylmethanamine

N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-1-quinolin-8-ylmethanamine (PubChem CID 74250660) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-1-quinolin-8-ylmethanamine.

Molecular Properties

Compound NameN-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-1-quinolin-8-ylmethanamine
PubChem CID74250660
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC NameN-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-1-quinolin-8-ylmethanamine
SMILESCc1cc(-c2nn(C)c(Cl)c2CN(C)Cc2cccc3cccnc23)no1
InChIInChI=1S/C20H20ClN5O/c1-13-10-17(24-27-13)19-16(20(21)26(3)23-19)12-25(2)11-15-7-4-6-14-8-5-9-22-18(14)15/h4-10H,11-12H2,1-3H3
InChIKeyMAGODGFHIPYVRF-UHFFFAOYSA-N
XLogP4.22
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 56894384
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CID 23537437
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CID 23537438
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CID 123341108
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CID 123461787
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CID 123669739
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CID 123716991
CID 123716991

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-1-quinolin-8-ylmethanamine?
The IUPAC name of N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-1-quinolin-8-ylmethanamine (CID 74250660) is N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-1-quinolin-8-ylmethanamine.
What is the SMILES notation for N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-1-quinolin-8-ylmethanamine?
The canonical SMILES for N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-1-quinolin-8-ylmethanamine is Cc1cc(-c2nn(C)c(Cl)c2CN(C)Cc2cccc3cccnc23)no1.
What is the InChIKey of N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-1-quinolin-8-ylmethanamine?
The InChIKey is MAGODGFHIPYVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c1-13-10-17(24-27-13)19-16(20(21)26(3)23-19)12-25(2)11-15-7-4-6-14-8-5-9-22-18(14)15/h4-10H,11-12H2,1-3H3.
What are the key properties of N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-1-quinolin-8-ylmethanamine?
N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-1-quinolin-8-ylmethanamine has a molecular weight of 381.87 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-1-quinolin-8-ylmethanamine is sourced from PubChem (CID 74250660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).