4-[(2-azido-6-methoxyquinolin-3-yl)methyl]-1-ethyl-6,7-dimethoxyisoquinoline

C24H23N5O3 — CID 150297354

IUPAC4-[(2-azido-6-methoxyquinolin-3-yl)methyl]-1-ethyl-6,7-dimethoxyisoquinoline
SMILESCCc1ncc(Cc2cc3cc(OC)ccc3nc2N=[N+]=[N-])c2cc(OC)c(OC)cc12
InChIInChI=1S/C24H23N5O3/c1-5-20-19-12-23(32-4)22(31-3)11-18(19)16(13-26-20)9-15-8-14-10-17(30-2)6-7-21(14)27-24(15)28-29-25/h6-8,10-13H,5,9H2,1-4H3
InChIKeyGIWBCQFLIPDPSN-UHFFFAOYSA-N
MW429.48 g/mol
LogP5.90
Rot. Bonds7

About 4-[(2-azido-6-methoxyquinolin-3-yl)methyl]-1-ethyl-6,7-dimethoxyisoquinoline

4-[(2-azido-6-methoxyquinolin-3-yl)methyl]-1-ethyl-6,7-dimethoxyisoquinoline (PubChem CID 150297354) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-[(2-azido-6-methoxyquinolin-3-yl)methyl]-1-ethyl-6,7-dimethoxyisoquinoline.

Molecular Properties

Compound Name4-[(2-azido-6-methoxyquinolin-3-yl)methyl]-1-ethyl-6,7-dimethoxyisoquinoline
PubChem CID150297354
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name4-[(2-azido-6-methoxyquinolin-3-yl)methyl]-1-ethyl-6,7-dimethoxyisoquinoline
SMILESCCc1ncc(Cc2cc3cc(OC)ccc3nc2N=[N+]=[N-])c2cc(OC)c(OC)cc12
InChIInChI=1S/C24H23N5O3/c1-5-20-19-12-23(32-4)22(31-3)11-18(19)16(13-26-20)9-15-8-14-10-17(30-2)6-7-21(14)27-24(15)28-29-25/h6-8,10-13H,5,9H2,1-4H3
InChIKeyGIWBCQFLIPDPSN-UHFFFAOYSA-N
XLogP5.90
TPSA102.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.48
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 4-[(2-azido-6-methoxyquinolin-3-yl)methyl]-1-ethyl-6,7-dimethoxyisoquinoline with MolForge

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Related Compounds

N-benzyl-3-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]-6-methoxyquinolin-2-amine
CID 141346176
2-azido-3-(2-chloroethyl)-6-methoxyquinoline
CID 95994765
2-[3-[(6,7-dimethoxy-1-propylisoquinolin-4-yl)methyl]-6-methoxyquinolin-2-yl]oxyacetonitrile;dihydrochloride
CID 74539193
1-ethyl-6,7-dimethoxy-4-[[6-(trifluoromethylsulfanyloxy)quinolin-3-yl]methyl]isoquinoline
CID 144620267
1-ethyl-6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline
CID 74539265
N-[3-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-6-yl]methanesulfonamide
CID 74539694
2,4-diazido-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine
CID 22316401
2-[2-[(1-ethyl-6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyethanol
CID 90117802
1-ethyl-6,7-dimethoxy-4-[(6-methoxy-2-propylquinolin-3-yl)methyl]-2H-isoquinolin-3-one;methane
CID 158657955
ethane;(6-methoxyquinolin-3-yl)methanol
CID 174710700
1-ethyl-6,7-dimethoxy-4-[[8-(trifluoromethylsulfanyloxy)quinolin-2-yl]methyl]isoquinoline
CID 144620263
6,7-dimethoxy-4-[(6-methoxy-2-propylquinolin-3-yl)methyl]-1-propan-2-yl-2H-isoquinolin-3-one;methane
CID 158049391

Frequently Asked Questions

What is the IUPAC name of 4-[(2-azido-6-methoxyquinolin-3-yl)methyl]-1-ethyl-6,7-dimethoxyisoquinoline?
The IUPAC name of 4-[(2-azido-6-methoxyquinolin-3-yl)methyl]-1-ethyl-6,7-dimethoxyisoquinoline (CID 150297354) is 4-[(2-azido-6-methoxyquinolin-3-yl)methyl]-1-ethyl-6,7-dimethoxyisoquinoline.
What is the SMILES notation for 4-[(2-azido-6-methoxyquinolin-3-yl)methyl]-1-ethyl-6,7-dimethoxyisoquinoline?
The canonical SMILES for 4-[(2-azido-6-methoxyquinolin-3-yl)methyl]-1-ethyl-6,7-dimethoxyisoquinoline is CCc1ncc(Cc2cc3cc(OC)ccc3nc2N=[N+]=[N-])c2cc(OC)c(OC)cc12.
What is the InChIKey of 4-[(2-azido-6-methoxyquinolin-3-yl)methyl]-1-ethyl-6,7-dimethoxyisoquinoline?
The InChIKey is GIWBCQFLIPDPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-5-20-19-12-23(32-4)22(31-3)11-18(19)16(13-26-20)9-15-8-14-10-17(30-2)6-7-21(14)27-24(15)28-29-25/h6-8,10-13H,5,9H2,1-4H3.
What are the key properties of 4-[(2-azido-6-methoxyquinolin-3-yl)methyl]-1-ethyl-6,7-dimethoxyisoquinoline?
4-[(2-azido-6-methoxyquinolin-3-yl)methyl]-1-ethyl-6,7-dimethoxyisoquinoline has a molecular weight of 429.48 g/mol, XLogP of 5.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-azido-6-methoxyquinolin-3-yl)methyl]-1-ethyl-6,7-dimethoxyisoquinoline is sourced from PubChem (CID 150297354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).