2-methoxy-5-(3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)phenol

C26H26N2O2 — CID 110532509

IUPAC2-methoxy-5-(3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)phenol
SMILESCCCN1CCc2c(c(-c3ccc(OC)c(O)c3)nc3ccc4ccccc4c23)C1
InChIInChI=1S/C26H26N2O2/c1-3-13-28-14-12-20-21(16-28)26(18-9-11-24(30-2)23(29)15-18)27-22-10-8-17-6-4-5-7-19(17)25(20)22/h4-11,15,29H,3,12-14,16H2,1-2H3
InChIKeyBTMBJEXWBZEOIE-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.54
Rot. Bonds4

About 2-methoxy-5-(3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)phenol

2-methoxy-5-(3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)phenol (PubChem CID 110532509) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-methoxy-5-(3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)phenol.

Molecular Properties

Compound Name2-methoxy-5-(3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)phenol
PubChem CID110532509
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name2-methoxy-5-(3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)phenol
SMILESCCCN1CCc2c(c(-c3ccc(OC)c(O)c3)nc3ccc4ccccc4c23)C1
InChIInChI=1S/C26H26N2O2/c1-3-13-28-14-12-20-21(16-28)26(18-9-11-24(30-2)23(29)15-18)27-22-10-8-17-6-4-5-7-19(17)25(20)22/h4-11,15,29H,3,12-14,16H2,1-2H3
InChIKeyBTMBJEXWBZEOIE-UHFFFAOYSA-N
XLogP5.54
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.54
H-Bond Donors ≤ 51
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-(4-methoxy-3-nitrophenyl)-3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110530904
5-(3-methoxyphenyl)-3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110533529
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
3-propyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110531259
4-(3-benzyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)-2-chlorophenol
CID 136781562
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-methoxy-2-propoxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110530930
5-(2-ethoxy-3-methoxyphenyl)-3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110531673
3-ethyl-5-(3-phenylmethoxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110530166
5-(3,5-dichloro-4-propoxyphenyl)-3-methyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110529915
3-ethyl-5-(5-methylfuran-2-yl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110536325

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)phenol?
The IUPAC name of 2-methoxy-5-(3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)phenol (CID 110532509) is 2-methoxy-5-(3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)phenol.
What is the SMILES notation for 2-methoxy-5-(3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)phenol?
The canonical SMILES for 2-methoxy-5-(3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)phenol is CCCN1CCc2c(c(-c3ccc(OC)c(O)c3)nc3ccc4ccccc4c23)C1.
What is the InChIKey of 2-methoxy-5-(3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)phenol?
The InChIKey is BTMBJEXWBZEOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-3-13-28-14-12-20-21(16-28)26(18-9-11-24(30-2)23(29)15-18)27-22-10-8-17-6-4-5-7-19(17)25(20)22/h4-11,15,29H,3,12-14,16H2,1-2H3.
What are the key properties of 2-methoxy-5-(3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)phenol?
2-methoxy-5-(3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)phenol has a molecular weight of 398.51 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)phenol is sourced from PubChem (CID 110532509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).