5-(2-ethoxy-3-methoxyphenyl)-3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine

C27H28N2O2 — CID 110531673

IUPAC5-(2-ethoxy-3-methoxyphenyl)-3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
SMILESCCOc1c(OC)cccc1-c1nc2ccc3ccccc3c2c2c1CN(CC)CC2
InChIInChI=1S/C27H28N2O2/c1-4-29-16-15-20-22(17-29)26(21-11-8-12-24(30-3)27(21)31-5-2)28-23-14-13-18-9-6-7-10-19(18)25(20)23/h6-14H,4-5,15-17H2,1-3H3
InChIKeyDHUWOPIJXFXTJF-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.84
Rot. Bonds5

About 5-(2-ethoxy-3-methoxyphenyl)-3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine

5-(2-ethoxy-3-methoxyphenyl)-3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine (PubChem CID 110531673) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is 5-(2-ethoxy-3-methoxyphenyl)-3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine.

Molecular Properties

Compound Name5-(2-ethoxy-3-methoxyphenyl)-3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
PubChem CID110531673
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name5-(2-ethoxy-3-methoxyphenyl)-3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
SMILESCCOc1c(OC)cccc1-c1nc2ccc3ccccc3c2c2c1CN(CC)CC2
InChIInChI=1S/C27H28N2O2/c1-4-29-16-15-20-22(17-29)26(21-11-8-12-24(30-3)27(21)31-5-2)28-23-14-13-18-9-6-7-10-19(18)25(20)23/h6-14H,4-5,15-17H2,1-3H3
InChIKeyDHUWOPIJXFXTJF-UHFFFAOYSA-N
XLogP5.84
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-5-(3-methoxy-2-propoxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110530930
3-ethyl-5-(4-methoxy-3-propan-2-yloxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110530940
2-chloro-4-(3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)-6-methoxyphenol
CID 136781639
4-(3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)-N,N-dimethylaniline
CID 110533610
3-ethyl-5-(3-phenylmethoxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110530166
3-ethyl-5-(5-methylfuran-2-yl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110536325
5-(3-methoxyphenyl)-3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110533529
2-methoxy-5-(3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)phenol
CID 110532509
5-(4-methoxy-3-nitrophenyl)-3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110530904
3-propyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110531259
5-(3-chloro-4-ethoxy-5-methoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine
CID 110531335
5-(3,5-dichloro-4-propoxyphenyl)-3-methyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110529915

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-3-methoxyphenyl)-3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine?
The IUPAC name of 5-(2-ethoxy-3-methoxyphenyl)-3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine (CID 110531673) is 5-(2-ethoxy-3-methoxyphenyl)-3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine.
What is the SMILES notation for 5-(2-ethoxy-3-methoxyphenyl)-3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine?
The canonical SMILES for 5-(2-ethoxy-3-methoxyphenyl)-3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine is CCOc1c(OC)cccc1-c1nc2ccc3ccccc3c2c2c1CN(CC)CC2.
What is the InChIKey of 5-(2-ethoxy-3-methoxyphenyl)-3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine?
The InChIKey is DHUWOPIJXFXTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-4-29-16-15-20-22(17-29)26(21-11-8-12-24(30-3)27(21)31-5-2)28-23-14-13-18-9-6-7-10-19(18)25(20)23/h6-14H,4-5,15-17H2,1-3H3.
What are the key properties of 5-(2-ethoxy-3-methoxyphenyl)-3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine?
5-(2-ethoxy-3-methoxyphenyl)-3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine has a molecular weight of 412.53 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-3-methoxyphenyl)-3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine is sourced from PubChem (CID 110531673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).