(6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-methyl-3-[(3R)-oxolan-3-yl]pyrazol-4-yl]methanone

C20H23ClN4O2 — CID 129347545

IUPAC(6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-methyl-3-[(3R)-oxolan-3-yl]pyrazol-4-yl]methanone
SMILESCn1cc(C(=O)N2CCN(C3CC3)c3cc(Cl)ccc32)c([C@H]2CCOC2)n1
InChIInChI=1S/C20H23ClN4O2/c1-23-11-16(19(22-23)13-6-9-27-12-13)20(26)25-8-7-24(15-3-4-15)18-10-14(21)2-5-17(18)25/h2,5,10-11,13,15H,3-4,6-9,12H2,1H3/t13-/m0/s1
InChIKeyQVOAQZXLVFKBFT-ZDUSSCGKSA-N
MW386.88 g/mol
LogP3.21
Rot. Bonds3

About (6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-methyl-3-[(3R)-oxolan-3-yl]pyrazol-4-yl]methanone

(6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-methyl-3-[(3R)-oxolan-3-yl]pyrazol-4-yl]methanone (PubChem CID 129347545) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is (6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-methyl-3-[(3R)-oxolan-3-yl]pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-methyl-3-[(3R)-oxolan-3-yl]pyrazol-4-yl]methanone
PubChem CID129347545
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name(6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-methyl-3-[(3R)-oxolan-3-yl]pyrazol-4-yl]methanone
SMILESCn1cc(C(=O)N2CCN(C3CC3)c3cc(Cl)ccc32)c([C@H]2CCOC2)n1
InChIInChI=1S/C20H23ClN4O2/c1-23-11-16(19(22-23)13-6-9-27-12-13)20(26)25-8-7-24(15-3-4-15)18-10-14(21)2-5-17(18)25/h2,5,10-11,13,15H,3-4,6-9,12H2,1H3/t13-/m0/s1
InChIKeyQVOAQZXLVFKBFT-ZDUSSCGKSA-N
XLogP3.21
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-methyl-3-[(3R)-oxolan-3-yl]pyrazol-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[1-methyl-3-(oxolan-3-yl)pyrazol-4-yl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 136533760
(6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone
CID 53311952
N-[(2-fluorophenyl)methyl]-N,1-dimethyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129472427
1-methyl-3-(oxolan-3-yl)-N-(1-propylpiperidin-4-yl)pyrazole-4-carboxamide
CID 128995752
1-methyl-3-[(3R)-oxolan-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide
CID 129472548
1-(3-methylbutyl)-3-(oxolan-3-yl)pyrazole-4-carboxylic acid
CID 113483564
N-[1-(3,5-dimethylphenyl)ethyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
CID 128992476
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129473435
N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129473437
N-cyclobutylsulfonyl-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
CID 136538400
N-[(4,4-dimethylcyclohexyl)methyl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129341540
1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide
CID 167848659

Frequently Asked Questions

What is the IUPAC name of (6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-methyl-3-[(3R)-oxolan-3-yl]pyrazol-4-yl]methanone?
The IUPAC name of (6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-methyl-3-[(3R)-oxolan-3-yl]pyrazol-4-yl]methanone (CID 129347545) is (6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-methyl-3-[(3R)-oxolan-3-yl]pyrazol-4-yl]methanone.
What is the SMILES notation for (6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-methyl-3-[(3R)-oxolan-3-yl]pyrazol-4-yl]methanone?
The canonical SMILES for (6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-methyl-3-[(3R)-oxolan-3-yl]pyrazol-4-yl]methanone is Cn1cc(C(=O)N2CCN(C3CC3)c3cc(Cl)ccc32)c([C@H]2CCOC2)n1.
What is the InChIKey of (6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-methyl-3-[(3R)-oxolan-3-yl]pyrazol-4-yl]methanone?
The InChIKey is QVOAQZXLVFKBFT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-23-11-16(19(22-23)13-6-9-27-12-13)20(26)25-8-7-24(15-3-4-15)18-10-14(21)2-5-17(18)25/h2,5,10-11,13,15H,3-4,6-9,12H2,1H3/t13-/m0/s1.
What are the key properties of (6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-methyl-3-[(3R)-oxolan-3-yl]pyrazol-4-yl]methanone?
(6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-methyl-3-[(3R)-oxolan-3-yl]pyrazol-4-yl]methanone has a molecular weight of 386.88 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[1-methyl-3-[(3R)-oxolan-3-yl]pyrazol-4-yl]methanone is sourced from PubChem (CID 129347545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).