N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C25H23ClN6O3 — CID 89229012

IUPACN-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3CNC(=O)C3CC=NO3)c2n1
InChIInChI=1S/C25H23ClN6O3/c1-15-10-18(21-6-8-29-32(21)2)17-4-3-5-22(24(17)31-15)34-14-19-16(11-27-13-20(19)26)12-28-25(33)23-7-9-30-35-23/h3-6,8-11,13,23H,7,12,14H2,1-2H3,(H,28,33)
InChIKeyRMXILURLNCHESA-UHFFFAOYSA-N
MW490.95 g/mol
LogP3.96
Rot. Bonds7

About N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 89229012) has the molecular formula C25H23ClN6O3 and a molecular weight of 490.95 g/mol. Its IUPAC name is N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID89229012
Molecular FormulaC25H23ClN6O3
Molecular Weight490.95 g/mol
Exact Mass490.15
IUPAC NameN-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3CNC(=O)C3CC=NO3)c2n1
InChIInChI=1S/C25H23ClN6O3/c1-15-10-18(21-6-8-29-32(21)2)17-4-3-5-22(24(17)31-15)34-14-19-16(11-27-13-20(19)26)12-28-25(33)23-7-9-30-35-23/h3-6,8-11,13,23H,7,12,14H2,1-2H3,(H,28,33)
InChIKeyRMXILURLNCHESA-UHFFFAOYSA-N
XLogP3.96
TPSA103.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.95
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

8-[[3-chloro-5-(chloromethyl)-4-pyridinyl]methoxy]-2-methyl-4-(2-methylpyrazol-3-yl)quinoline
CID 67077254
N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-4-methyl-1,3-thiazol-2-amine
CID 59484307
2-methyl-N-[[5-methyl-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]propanamide
CID 59484079
N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 59484539
1-[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl acetate
CID 59484174
5-chloro-1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]pyridin-2-one
CID 59484559
1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N,N-dimethyl-2-oxopyridine-3-carboxamide
CID 59484112
1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-oxopyridine-4-carbonitrile
CID 59484131
[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol
CID 59484341
1-[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl N,N-dimethylcarbamate
CID 59484225
N-[[5-chloro-4-[[2-methyl-4-(3-methyl-1,2-oxazol-4-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]cyclohexanecarboxamide;ethane
CID 145481052
8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-(fluoromethyl)-4-(2-methylpyrazol-3-yl)quinoline
CID 59484536

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 89229012) is N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3CNC(=O)C3CC=NO3)c2n1.
What is the InChIKey of N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is RMXILURLNCHESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN6O3/c1-15-10-18(21-6-8-29-32(21)2)17-4-3-5-22(24(17)31-15)34-14-19-16(11-27-13-20(19)26)12-28-25(33)23-7-9-30-35-23/h3-6,8-11,13,23H,7,12,14H2,1-2H3,(H,28,33).
What are the key properties of N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 490.95 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 89229012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).