2-methyl-5-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]pentanal

C28H27NO2 — CID 142258913

IUPAC2-methyl-5-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]pentanal
SMILESCC(C=O)CCCc1ccc(OCc2cc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C28H27NO2/c1-21(19-30)8-7-9-22-14-16-25(17-15-22)31-20-24-18-28(23-10-3-2-4-11-23)29-27-13-6-5-12-26(24)27/h2-6,10-19,21H,7-9,20H2,1H3
InChIKeyDIPZEXOVZDQDCG-UHFFFAOYSA-N
MW409.53 g/mol
LogP6.64
Rot. Bonds9

About 2-methyl-5-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]pentanal

2-methyl-5-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]pentanal (PubChem CID 142258913) has the molecular formula C28H27NO2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-methyl-5-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]pentanal.

Molecular Properties

Compound Name2-methyl-5-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]pentanal
PubChem CID142258913
Molecular FormulaC28H27NO2
Molecular Weight409.53 g/mol
Exact Mass409.20
IUPAC Name2-methyl-5-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]pentanal
SMILESCC(C=O)CCCc1ccc(OCc2cc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C28H27NO2/c1-21(19-30)8-7-9-22-14-16-25(17-15-22)31-20-24-18-28(23-10-3-2-4-11-23)29-27-13-6-5-12-26(24)27/h2-6,10-19,21H,7-9,20H2,1H3
InChIKeyDIPZEXOVZDQDCG-UHFFFAOYSA-N
XLogP6.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]propanoate
CID 58944756
methyl 4-(hydroxyamino)-2,3-dimethyl-4-oxo-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]butanoate
CID 20748815
trans-(1S,2S)-N-hydroxy-2-[(E)-3-[methyl(3-methylpentyl)amino]-3-oxoprop-1-enyl]-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 142258685
ethyl formate;N-[1-[2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropyl]ethenyl]hydroxylamine
CID 142258935
2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 175893431
[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 22148915
2-phenyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6879530
N-[(E)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126049455
6-chloro-2-(4-methylphenyl)-4-(phenoxymethyl)quinoline
CID 101176210
cis-(1S,2R)-2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 142258932
2-phenyl-4-phenylmethoxyquinoline
CID 14954067
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]pentanal?
The IUPAC name of 2-methyl-5-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]pentanal (CID 142258913) is 2-methyl-5-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]pentanal.
What is the SMILES notation for 2-methyl-5-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]pentanal?
The canonical SMILES for 2-methyl-5-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]pentanal is CC(C=O)CCCc1ccc(OCc2cc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of 2-methyl-5-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]pentanal?
The InChIKey is DIPZEXOVZDQDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO2/c1-21(19-30)8-7-9-22-14-16-25(17-15-22)31-20-24-18-28(23-10-3-2-4-11-23)29-27-13-6-5-12-26(24)27/h2-6,10-19,21H,7-9,20H2,1H3.
What are the key properties of 2-methyl-5-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]pentanal?
2-methyl-5-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]pentanal has a molecular weight of 409.53 g/mol, XLogP of 6.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]pentanal is sourced from PubChem (CID 142258913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).