8-methoxy-4-(1H-pyrazol-4-yl)-2-pyrrolidin-1-ylquinoline

C17H18N4O — CID 162750448

IUPAC8-methoxy-4-(1H-pyrazol-4-yl)-2-pyrrolidin-1-ylquinoline
SMILESCOc1cccc2c(-c3cn[nH]c3)cc(N3CCCC3)nc12
InChIInChI=1S/C17H18N4O/c1-22-15-6-4-5-13-14(12-10-18-19-11-12)9-16(20-17(13)15)21-7-2-3-8-21/h4-6,9-11H,2-3,7-8H2,1H3,(H,18,19)
InChIKeyAQEJCPANXHUHKU-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.23
Rot. Bonds3

About 8-methoxy-4-(1H-pyrazol-4-yl)-2-pyrrolidin-1-ylquinoline

8-methoxy-4-(1H-pyrazol-4-yl)-2-pyrrolidin-1-ylquinoline (PubChem CID 162750448) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 8-methoxy-4-(1H-pyrazol-4-yl)-2-pyrrolidin-1-ylquinoline.

Molecular Properties

Compound Name8-methoxy-4-(1H-pyrazol-4-yl)-2-pyrrolidin-1-ylquinoline
PubChem CID162750448
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name8-methoxy-4-(1H-pyrazol-4-yl)-2-pyrrolidin-1-ylquinoline
SMILESCOc1cccc2c(-c3cn[nH]c3)cc(N3CCCC3)nc12
InChIInChI=1S/C17H18N4O/c1-22-15-6-4-5-13-14(12-10-18-19-11-12)9-16(20-17(13)15)21-7-2-3-8-21/h4-6,9-11H,2-3,7-8H2,1H3,(H,18,19)
InChIKeyAQEJCPANXHUHKU-UHFFFAOYSA-N
XLogP3.23
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7,8-dichloro-2-piperidin-1-yl-4-(1H-pyrazol-4-yl)quinoline;3-methoxypropanoic acid
CID 162751331
7,8-dichloro-4-(1H-pyrazol-4-yl)-2-pyrrolidin-1-ylquinoline;formic acid;1-pyrrolidin-1-ylethanone
CID 162750984
8-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline
CID 6456448
2-[4-(4-fluorophenyl)piperazin-1-yl]-8-methoxy-4-methylquinoline
CID 1365048
8-methoxy-4-methyl-2-piperazin-1-ylquinoline;oxalic acid
CID 75464988
8-methoxy-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline
CID 23931520
N-cyclohexyl-8-methoxy-4-pyrrolidin-1-ylquinolin-2-amine
CID 144970638
trans-(1S,2S)-1-N,2-N-bis(8-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine
CID 118548103
4-(2-methoxy-4-methylphenyl)-1H-pyrazole
CID 137381850
7,8-dichloro-2-(3-heptan-4-ylpyrrolidin-1-yl)-4-(1H-pyrazol-4-yl)quinoline
CID 162750879
(2R,6R)-4-(8-methoxy-4-methylquinolin-2-yl)-2,6-dimethylmorpholine
CID 27271148
(2S,6S)-4-(8-methoxy-4-methylquinolin-2-yl)-2,6-dimethylmorpholine
CID 27271146

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-(1H-pyrazol-4-yl)-2-pyrrolidin-1-ylquinoline?
The IUPAC name of 8-methoxy-4-(1H-pyrazol-4-yl)-2-pyrrolidin-1-ylquinoline (CID 162750448) is 8-methoxy-4-(1H-pyrazol-4-yl)-2-pyrrolidin-1-ylquinoline.
What is the SMILES notation for 8-methoxy-4-(1H-pyrazol-4-yl)-2-pyrrolidin-1-ylquinoline?
The canonical SMILES for 8-methoxy-4-(1H-pyrazol-4-yl)-2-pyrrolidin-1-ylquinoline is COc1cccc2c(-c3cn[nH]c3)cc(N3CCCC3)nc12.
What is the InChIKey of 8-methoxy-4-(1H-pyrazol-4-yl)-2-pyrrolidin-1-ylquinoline?
The InChIKey is AQEJCPANXHUHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-22-15-6-4-5-13-14(12-10-18-19-11-12)9-16(20-17(13)15)21-7-2-3-8-21/h4-6,9-11H,2-3,7-8H2,1H3,(H,18,19).
What are the key properties of 8-methoxy-4-(1H-pyrazol-4-yl)-2-pyrrolidin-1-ylquinoline?
8-methoxy-4-(1H-pyrazol-4-yl)-2-pyrrolidin-1-ylquinoline has a molecular weight of 294.36 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-(1H-pyrazol-4-yl)-2-pyrrolidin-1-ylquinoline is sourced from PubChem (CID 162750448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).