5-(2-methyl-1H-indol-3-yl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine

C25H21N3 — CID 110534861

IUPAC5-(2-methyl-1H-indol-3-yl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine
SMILESCc1[nH]c2ccccc2c1-c1nc2ccc3ccccc3c2c2c1CNCC2
InChIInChI=1S/C25H21N3/c1-15-23(19-8-4-5-9-21(19)27-15)25-20-14-26-13-12-18(20)24-17-7-3-2-6-16(17)10-11-22(24)28-25/h2-11,26-27H,12-14H2,1H3
InChIKeyFOFWUAOYWIULRM-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.49
Rot. Bonds1

About 5-(2-methyl-1H-indol-3-yl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine

5-(2-methyl-1H-indol-3-yl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine (PubChem CID 110534861) has the molecular formula C25H21N3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 5-(2-methyl-1H-indol-3-yl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine.

Molecular Properties

Compound Name5-(2-methyl-1H-indol-3-yl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine
PubChem CID110534861
Molecular FormulaC25H21N3
Molecular Weight363.46 g/mol
Exact Mass363.17
IUPAC Name5-(2-methyl-1H-indol-3-yl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine
SMILESCc1[nH]c2ccccc2c1-c1nc2ccc3ccccc3c2c2c1CNCC2
InChIInChI=1S/C25H21N3/c1-15-23(19-8-4-5-9-21(19)27-15)25-20-14-26-13-12-18(20)24-17-7-3-2-6-16(17)10-11-22(24)28-25/h2-11,26-27H,12-14H2,1H3
InChIKeyFOFWUAOYWIULRM-UHFFFAOYSA-N
XLogP5.49
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-ethoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine
CID 110535482
4-(1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridin-5-yl)benzoic acid
CID 110535496
2-(1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridin-5-yl)benzoic acid
CID 110535495
5-(3,5-dichloro-4-ethoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine
CID 110531145
2-bromo-4-(1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridin-5-yl)phenol
CID 136781696
5-(3-bromo-4,5-dimethoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine
CID 110529985
5-(3-ethoxy-4-propan-2-yloxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine
CID 110531676
5-(3-chloro-4-ethoxy-5-methoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine
CID 110531335
5-(2,4-diethoxy-5-nitrophenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine
CID 110530230
5-(3-methoxy-5-nitro-4-propoxyphenyl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine
CID 110530222
5-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydrobenzo[a]phenanthridine;hydrochloride
CID 146050890
ethane;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 158166358

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1H-indol-3-yl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine?
The IUPAC name of 5-(2-methyl-1H-indol-3-yl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine (CID 110534861) is 5-(2-methyl-1H-indol-3-yl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine.
What is the SMILES notation for 5-(2-methyl-1H-indol-3-yl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine?
The canonical SMILES for 5-(2-methyl-1H-indol-3-yl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine is Cc1[nH]c2ccccc2c1-c1nc2ccc3ccccc3c2c2c1CNCC2.
What is the InChIKey of 5-(2-methyl-1H-indol-3-yl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine?
The InChIKey is FOFWUAOYWIULRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3/c1-15-23(19-8-4-5-9-21(19)27-15)25-20-14-26-13-12-18(20)24-17-7-3-2-6-16(17)10-11-22(24)28-25/h2-11,26-27H,12-14H2,1H3.
What are the key properties of 5-(2-methyl-1H-indol-3-yl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine?
5-(2-methyl-1H-indol-3-yl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine has a molecular weight of 363.46 g/mol, XLogP of 5.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1H-indol-3-yl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine is sourced from PubChem (CID 110534861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).