[1-[[3-(3-methoxybut-3-enyl)phenyl]methyl]-2,7-naphthyridin-3-yl]methanol

C21H22N2O2 — CID 177150375

IUPAC[1-[[3-(3-methoxybut-3-enyl)phenyl]methyl]-2,7-naphthyridin-3-yl]methanol
SMILESC=C(CCc1cccc(Cc2nc(CO)cc3ccncc23)c1)OC
InChIInChI=1S/C21H22N2O2/c1-15(25-2)6-7-16-4-3-5-17(10-16)11-21-20-13-22-9-8-18(20)12-19(14-24)23-21/h3-5,8-10,12-13,24H,1,6-7,11,14H2,2H3
InChIKeyAVPOQUWMJFLTCK-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.81
Rot. Bonds7

About [1-[[3-(3-methoxybut-3-enyl)phenyl]methyl]-2,7-naphthyridin-3-yl]methanol

[1-[[3-(3-methoxybut-3-enyl)phenyl]methyl]-2,7-naphthyridin-3-yl]methanol (PubChem CID 177150375) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is [1-[[3-(3-methoxybut-3-enyl)phenyl]methyl]-2,7-naphthyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[3-(3-methoxybut-3-enyl)phenyl]methyl]-2,7-naphthyridin-3-yl]methanol
PubChem CID177150375
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name[1-[[3-(3-methoxybut-3-enyl)phenyl]methyl]-2,7-naphthyridin-3-yl]methanol
SMILESC=C(CCc1cccc(Cc2nc(CO)cc3ccncc23)c1)OC
InChIInChI=1S/C21H22N2O2/c1-15(25-2)6-7-16-4-3-5-17(10-16)11-21-20-13-22-9-8-18(20)12-19(14-24)23-21/h3-5,8-10,12-13,24H,1,6-7,11,14H2,2H3
InChIKeyAVPOQUWMJFLTCK-UHFFFAOYSA-N
XLogP3.81
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[3-[[6-(piperidin-1-ylmethyl)isoquinolin-8-yl]methyl]phenyl]propanoate
CID 177029777
3-[3-[[6-(piperidin-1-ylmethyl)isoquinolin-8-yl]methyl]phenyl]propanoic acid
CID 177030713
3-(3-methoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
CID 110714640
methyl 3-[3-[[5-[(dimethylamino)methyl]isoquinolin-1-yl]methyl]phenyl]propanoate
CID 177029762
ethane;methyl 3-[3-[[5-[(dimethylamino)methyl]isoquinolin-1-yl]methyl]phenyl]propanoate
CID 177030242
3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 31100473
3-(3-aminophenyl)-1-isoquinolin-8-ylpropan-1-one
CID 103133503
3-(3-methoxyphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 134051001
1,3-dibenzyl-7-methoxyisoquinoline
CID 141360236
3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 127122248
3-(3-methoxyphenyl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 77090946
(1-pyridin-3-yloxyisoquinolin-3-yl)methanol
CID 61256067

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(3-methoxybut-3-enyl)phenyl]methyl]-2,7-naphthyridin-3-yl]methanol?
The IUPAC name of [1-[[3-(3-methoxybut-3-enyl)phenyl]methyl]-2,7-naphthyridin-3-yl]methanol (CID 177150375) is [1-[[3-(3-methoxybut-3-enyl)phenyl]methyl]-2,7-naphthyridin-3-yl]methanol.
What is the SMILES notation for [1-[[3-(3-methoxybut-3-enyl)phenyl]methyl]-2,7-naphthyridin-3-yl]methanol?
The canonical SMILES for [1-[[3-(3-methoxybut-3-enyl)phenyl]methyl]-2,7-naphthyridin-3-yl]methanol is C=C(CCc1cccc(Cc2nc(CO)cc3ccncc23)c1)OC.
What is the InChIKey of [1-[[3-(3-methoxybut-3-enyl)phenyl]methyl]-2,7-naphthyridin-3-yl]methanol?
The InChIKey is AVPOQUWMJFLTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15(25-2)6-7-16-4-3-5-17(10-16)11-21-20-13-22-9-8-18(20)12-19(14-24)23-21/h3-5,8-10,12-13,24H,1,6-7,11,14H2,2H3.
What are the key properties of [1-[[3-(3-methoxybut-3-enyl)phenyl]methyl]-2,7-naphthyridin-3-yl]methanol?
[1-[[3-(3-methoxybut-3-enyl)phenyl]methyl]-2,7-naphthyridin-3-yl]methanol has a molecular weight of 334.42 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(3-methoxybut-3-enyl)phenyl]methyl]-2,7-naphthyridin-3-yl]methanol is sourced from PubChem (CID 177150375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).