4-(3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)-N,N-dimethylaniline

C26H27N3 — CID 110533610

IUPAC4-(3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)-N,N-dimethylaniline
SMILESCCN1CCc2c(c(-c3ccc(N(C)C)cc3)nc3ccc4ccccc4c23)C1
InChIInChI=1S/C26H27N3/c1-4-29-16-15-22-23(17-29)26(19-9-12-20(13-10-19)28(2)3)27-24-14-11-18-7-5-6-8-21(18)25(22)24/h5-14H,4,15-17H2,1-3H3
InChIKeyYJLMHAMUTHSRNK-UHFFFAOYSA-N
MW381.52 g/mol
LogP5.50
Rot. Bonds3

About 4-(3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)-N,N-dimethylaniline

4-(3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)-N,N-dimethylaniline (PubChem CID 110533610) has the molecular formula C26H27N3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-(3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)-N,N-dimethylaniline
PubChem CID110533610
Molecular FormulaC26H27N3
Molecular Weight381.52 g/mol
Exact Mass381.22
IUPAC Name4-(3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)-N,N-dimethylaniline
SMILESCCN1CCc2c(c(-c3ccc(N(C)C)cc3)nc3ccc4ccccc4c23)C1
InChIInChI=1S/C26H27N3/c1-4-29-16-15-22-23(17-29)26(19-9-12-20(13-10-19)28(2)3)27-24-14-11-18-7-5-6-8-21(18)25(22)24/h5-14H,4,15-17H2,1-3H3
InChIKeyYJLMHAMUTHSRNK-UHFFFAOYSA-N
XLogP5.50
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-5-(5-methylfuran-2-yl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110536325
3-ethyl-5-(4-methoxy-3-propan-2-yloxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110530940
3-ethyl-5-(3-phenylmethoxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110530166
2-chloro-4-(3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)-6-methoxyphenol
CID 136781639
5-(2-ethoxy-3-methoxyphenyl)-3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110531673
5-(3-methoxyphenyl)-3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110533529
3-ethyl-5-(3-methoxy-2-propoxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110530930
2-methoxy-5-(3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)phenol
CID 110532509
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
5-(4-methoxy-3-nitrophenyl)-3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110530904
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 4-(3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)-N,N-dimethylaniline (CID 110533610) is 4-(3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)-N,N-dimethylaniline is CCN1CCc2c(c(-c3ccc(N(C)C)cc3)nc3ccc4ccccc4c23)C1.
What is the InChIKey of 4-(3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)-N,N-dimethylaniline?
The InChIKey is YJLMHAMUTHSRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3/c1-4-29-16-15-22-23(17-29)26(19-9-12-20(13-10-19)28(2)3)27-24-14-11-18-7-5-6-8-21(18)25(22)24/h5-14H,4,15-17H2,1-3H3.
What are the key properties of 4-(3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)-N,N-dimethylaniline?
4-(3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)-N,N-dimethylaniline has a molecular weight of 381.52 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)-N,N-dimethylaniline is sourced from PubChem (CID 110533610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).