(3S)-3-methoxy-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline

C17H23N3O2 — CID 125141740

IUPAC(3S)-3-methoxy-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline
SMILESCOCCn1cc(CN2C[C@@H](OC)Cc3ccccc32)cn1
InChIInChI=1S/C17H23N3O2/c1-21-8-7-20-12-14(10-18-20)11-19-13-16(22-2)9-15-5-3-4-6-17(15)19/h3-6,10,12,16H,7-9,11,13H2,1-2H3/t16-/m0/s1
InChIKeyZHHKNTIRMJXZNC-INIZCTEOSA-N
MW301.39 g/mol
LogP2.11
Rot. Bonds6

About (3S)-3-methoxy-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline

(3S)-3-methoxy-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline (PubChem CID 125141740) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (3S)-3-methoxy-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name(3S)-3-methoxy-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline
PubChem CID125141740
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(3S)-3-methoxy-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline
SMILESCOCCn1cc(CN2C[C@@H](OC)Cc3ccccc32)cn1
InChIInChI=1S/C17H23N3O2/c1-21-8-7-20-12-14(10-18-20)11-19-13-16(22-2)9-15-5-3-4-6-17(15)19/h3-6,10,12,16H,7-9,11,13H2,1-2H3/t16-/m0/s1
InChIKeyZHHKNTIRMJXZNC-INIZCTEOSA-N
XLogP2.11
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 16190145
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CID 45190633
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CID 45239749
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CID 50962738
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CID 53622677
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CID 56781124
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CID 70718133
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CID 45184126
CID 45184126

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxy-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of (3S)-3-methoxy-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline (CID 125141740) is (3S)-3-methoxy-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for (3S)-3-methoxy-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for (3S)-3-methoxy-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline is COCCn1cc(CN2C[C@@H](OC)Cc3ccccc32)cn1.
What is the InChIKey of (3S)-3-methoxy-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline?
The InChIKey is ZHHKNTIRMJXZNC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-21-8-7-20-12-14(10-18-20)11-19-13-16(22-2)9-15-5-3-4-6-17(15)19/h3-6,10,12,16H,7-9,11,13H2,1-2H3/t16-/m0/s1.
What are the key properties of (3S)-3-methoxy-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline?
(3S)-3-methoxy-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline has a molecular weight of 301.39 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxy-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 125141740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).