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

C28H30N2O2 — CID 110530930

IUPAC3-ethyl-5-(3-methoxy-2-propoxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
SMILESCCCOc1c(OC)cccc1-c1nc2ccc3ccccc3c2c2c1CN(CC)CC2
InChIInChI=1S/C28H30N2O2/c1-4-17-32-28-22(11-8-12-25(28)31-3)27-23-18-30(5-2)16-15-21(23)26-20-10-7-6-9-19(20)13-14-24(26)29-27/h6-14H,4-5,15-18H2,1-3H3
InChIKeyKLJNUUYEEXJVRP-UHFFFAOYSA-N
MW426.56 g/mol
LogP6.23
Rot. Bonds6

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

3-ethyl-5-(3-methoxy-2-propoxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine (PubChem CID 110530930) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 3-ethyl-5-(3-methoxy-2-propoxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine.

Molecular Properties

Compound Name3-ethyl-5-(3-methoxy-2-propoxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
PubChem CID110530930
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC Name3-ethyl-5-(3-methoxy-2-propoxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
SMILESCCCOc1c(OC)cccc1-c1nc2ccc3ccccc3c2c2c1CN(CC)CC2
InChIInChI=1S/C28H30N2O2/c1-4-17-32-28-22(11-8-12-25(28)31-3)27-23-18-30(5-2)16-15-21(23)26-20-10-7-6-9-19(20)13-14-24(26)29-27/h6-14H,4-5,15-18H2,1-3H3
InChIKeyKLJNUUYEEXJVRP-UHFFFAOYSA-N
XLogP6.23
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 56.23
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

5-(2-ethoxy-3-methoxyphenyl)-3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110531673
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
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
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-(3,5-dichloro-4-propoxyphenyl)-3-methyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110529915
5-(4-methoxy-3-nitrophenyl)-3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110530904
5-(3-methoxy-5-nitro-4-propoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine
CID 110530222
4-(3-benzyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)-2-chlorophenol
CID 136781562

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(3-methoxy-2-propoxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine?
The IUPAC name of 3-ethyl-5-(3-methoxy-2-propoxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine (CID 110530930) is 3-ethyl-5-(3-methoxy-2-propoxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine.
What is the SMILES notation for 3-ethyl-5-(3-methoxy-2-propoxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine?
The canonical SMILES for 3-ethyl-5-(3-methoxy-2-propoxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine is CCCOc1c(OC)cccc1-c1nc2ccc3ccccc3c2c2c1CN(CC)CC2.
What is the InChIKey of 3-ethyl-5-(3-methoxy-2-propoxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine?
The InChIKey is KLJNUUYEEXJVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2/c1-4-17-32-28-22(11-8-12-25(28)31-3)27-23-18-30(5-2)16-15-21(23)26-20-10-7-6-9-19(20)13-14-24(26)29-27/h6-14H,4-5,15-18H2,1-3H3.
What are the key properties of 3-ethyl-5-(3-methoxy-2-propoxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine?
3-ethyl-5-(3-methoxy-2-propoxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine has a molecular weight of 426.56 g/mol, XLogP of 6.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(3-methoxy-2-propoxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine is sourced from PubChem (CID 110530930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).