[2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(8-methoxyquinolin-5-yl)phenyl]methanone

C22H22N2O3 — CID 156608724

IUPAC[2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(8-methoxyquinolin-5-yl)phenyl]methanone
SMILESCOc1ccc(-c2cccc(C(=O)N3CCCC3CO)c2)c2cccnc12
InChIInChI=1S/C22H22N2O3/c1-27-20-10-9-18(19-8-3-11-23-21(19)20)15-5-2-6-16(13-15)22(26)24-12-4-7-17(24)14-25/h2-3,5-6,8-11,13,17,25H,4,7,12,14H2,1H3
InChIKeyRTZZYWAWOFISDE-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.51
Rot. Bonds4

About [2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(8-methoxyquinolin-5-yl)phenyl]methanone

[2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(8-methoxyquinolin-5-yl)phenyl]methanone (PubChem CID 156608724) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is [2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(8-methoxyquinolin-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(8-methoxyquinolin-5-yl)phenyl]methanone
PubChem CID156608724
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name[2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(8-methoxyquinolin-5-yl)phenyl]methanone
SMILESCOc1ccc(-c2cccc(C(=O)N3CCCC3CO)c2)c2cccnc12
InChIInChI=1S/C22H22N2O3/c1-27-20-10-9-18(19-8-3-11-23-21(19)20)15-5-2-6-16(13-15)22(26)24-12-4-7-17(24)14-25/h2-3,5-6,8-11,13,17,25H,4,7,12,14H2,1H3
InChIKeyRTZZYWAWOFISDE-UHFFFAOYSA-N
XLogP3.51
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(8-methoxyquinolin-5-yl)phenyl]methanone with MolForge

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Related Compounds

3-(8-methoxyquinolin-5-yl)benzoic acid
CID 82039973
(3-hydroxy-4-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79726071
(4-hydroxy-3-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110473392
(4-amino-3-methoxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210005
(3,5-dimethoxy-4-methylphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61411271
(4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 104782453
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(2-methoxy-4-pyridinyl)naphthalen-2-yl]methanone
CID 175641852
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 79027800
[2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63753428
[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-methoxy-3-phenylphenyl)methanone
CID 124688652
4-(8-methoxyquinolin-5-yl)-2-piperidin-1-ylbenzamide
CID 69175133
N-[[2-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]propanamide
CID 121497725

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(8-methoxyquinolin-5-yl)phenyl]methanone?
The IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(8-methoxyquinolin-5-yl)phenyl]methanone (CID 156608724) is [2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(8-methoxyquinolin-5-yl)phenyl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(8-methoxyquinolin-5-yl)phenyl]methanone?
The canonical SMILES for [2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(8-methoxyquinolin-5-yl)phenyl]methanone is COc1ccc(-c2cccc(C(=O)N3CCCC3CO)c2)c2cccnc12.
What is the InChIKey of [2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(8-methoxyquinolin-5-yl)phenyl]methanone?
The InChIKey is RTZZYWAWOFISDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-27-20-10-9-18(19-8-3-11-23-21(19)20)15-5-2-6-16(13-15)22(26)24-12-4-7-17(24)14-25/h2-3,5-6,8-11,13,17,25H,4,7,12,14H2,1H3.
What are the key properties of [2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(8-methoxyquinolin-5-yl)phenyl]methanone?
[2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(8-methoxyquinolin-5-yl)phenyl]methanone has a molecular weight of 362.43 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(8-methoxyquinolin-5-yl)phenyl]methanone is sourced from PubChem (CID 156608724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).