7-methoxy-3-methyl-1-pyrrolidin-1-ylbenzo[b][1,6]naphthyridine

C18H19N3O — CID 12579913

IUPAC7-methoxy-3-methyl-1-pyrrolidin-1-ylbenzo[b][1,6]naphthyridine
SMILESCOc1ccc2cc3c(N4CCCC4)nc(C)cc3nc2c1
InChIInChI=1S/C18H19N3O/c1-12-9-17-15(18(19-12)21-7-3-4-8-21)10-13-5-6-14(22-2)11-16(13)20-17/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyRTTDPAVEPPALNM-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.70
Rot. Bonds2

About 7-methoxy-3-methyl-1-pyrrolidin-1-ylbenzo[b][1,6]naphthyridine

7-methoxy-3-methyl-1-pyrrolidin-1-ylbenzo[b][1,6]naphthyridine (PubChem CID 12579913) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 7-methoxy-3-methyl-1-pyrrolidin-1-ylbenzo[b][1,6]naphthyridine.

Molecular Properties

Compound Name7-methoxy-3-methyl-1-pyrrolidin-1-ylbenzo[b][1,6]naphthyridine
PubChem CID12579913
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name7-methoxy-3-methyl-1-pyrrolidin-1-ylbenzo[b][1,6]naphthyridine
SMILESCOc1ccc2cc3c(N4CCCC4)nc(C)cc3nc2c1
InChIInChI=1S/C18H19N3O/c1-12-9-17-15(18(19-12)21-7-3-4-8-21)10-13-5-6-14(22-2)11-16(13)20-17/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyRTTDPAVEPPALNM-UHFFFAOYSA-N
XLogP3.70
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde
CID 857615
7-methoxy-3-methyl-2-piperazin-1-ylquinoline;hydrochloride
CID 121237209
4-(azepan-1-yl)-7-methoxyquinazoline
CID 110433303
4-(azepan-1-yl)-6-methoxyquinazoline
CID 21002922
6-methoxy-2-piperidin-1-ylquinoline
CID 143398989
7-[(3,5-dimethoxyphenyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline
CID 22641311
2-(4-cyclopentylpiperazin-1-yl)-7-methoxy-3-(4-methoxyphenyl)quinoline;hydrochloride
CID 68860037
4-(4-ethylpiperazin-1-yl)-7-methoxy-2-methylquinoline
CID 110434217
3-ethyl-7-methoxy-2-piperazin-1-ylquinoline
CID 121236560
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline
CID 731359
N-tert-butyl-7-methoxy-2-methylquinolin-4-amine
CID 110433200
7-methoxy-2,3-dimethylquinoline
CID 58717059

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-methyl-1-pyrrolidin-1-ylbenzo[b][1,6]naphthyridine?
The IUPAC name of 7-methoxy-3-methyl-1-pyrrolidin-1-ylbenzo[b][1,6]naphthyridine (CID 12579913) is 7-methoxy-3-methyl-1-pyrrolidin-1-ylbenzo[b][1,6]naphthyridine.
What is the SMILES notation for 7-methoxy-3-methyl-1-pyrrolidin-1-ylbenzo[b][1,6]naphthyridine?
The canonical SMILES for 7-methoxy-3-methyl-1-pyrrolidin-1-ylbenzo[b][1,6]naphthyridine is COc1ccc2cc3c(N4CCCC4)nc(C)cc3nc2c1.
What is the InChIKey of 7-methoxy-3-methyl-1-pyrrolidin-1-ylbenzo[b][1,6]naphthyridine?
The InChIKey is RTTDPAVEPPALNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12-9-17-15(18(19-12)21-7-3-4-8-21)10-13-5-6-14(22-2)11-16(13)20-17/h5-6,9-11H,3-4,7-8H2,1-2H3.
What are the key properties of 7-methoxy-3-methyl-1-pyrrolidin-1-ylbenzo[b][1,6]naphthyridine?
7-methoxy-3-methyl-1-pyrrolidin-1-ylbenzo[b][1,6]naphthyridine has a molecular weight of 293.37 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methyl-1-pyrrolidin-1-ylbenzo[b][1,6]naphthyridine is sourced from PubChem (CID 12579913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).