benzimidazolo[1,2-a][1,6]naphthyridin-6-yl(ethoxy)methanol

C17H15N3O2 — CID 163724357

IUPACbenzimidazolo[1,2-a][1,6]naphthyridin-6-yl(ethoxy)methanol
SMILESCCOC(O)c1cc2cnccc2n2c1nc1ccccc12
InChIInChI=1S/C17H15N3O2/c1-2-22-17(21)12-9-11-10-18-8-7-14(11)20-15-6-4-3-5-13(15)19-16(12)20/h3-10,17,21H,2H2,1H3
InChIKeyKUHLAVVDFMKGQR-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.06
Rot. Bonds3

About benzimidazolo[1,2-a][1,6]naphthyridin-6-yl(ethoxy)methanol

benzimidazolo[1,2-a][1,6]naphthyridin-6-yl(ethoxy)methanol (PubChem CID 163724357) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is benzimidazolo[1,2-a][1,6]naphthyridin-6-yl(ethoxy)methanol.

Molecular Properties

Compound Namebenzimidazolo[1,2-a][1,6]naphthyridin-6-yl(ethoxy)methanol
PubChem CID163724357
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Namebenzimidazolo[1,2-a][1,6]naphthyridin-6-yl(ethoxy)methanol
SMILESCCOC(O)c1cc2cnccc2n2c1nc1ccccc12
InChIInChI=1S/C17H15N3O2/c1-2-22-17(21)12-9-11-10-18-8-7-14(11)20-15-6-4-3-5-13(15)19-16(12)20/h3-10,17,21H,2H2,1H3
InChIKeyKUHLAVVDFMKGQR-UHFFFAOYSA-N
XLogP3.06
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzimidazolo[1,2-a][1,6]naphthyridin-6-yl-(4-methylpiperazin-1-yl)methanone
CID 135351660
3,10,13,20,23,30-hexazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17(22),18,20,24,26,28-tetradecaene
CID 138474717
CID 157180106
CID 157180106
10,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-4-ol
CID 135379666
4-(10,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-4-yloxy)-10,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
CID 140949823
1-ethyl-2-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-c]pyridine
CID 141448929
benzimidazolo[1,2-a][1,6]naphthyridine-6-carboxylic acid;benzimidazolo[1,2-a][1,6]naphthyridin-6-yl-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone
CID 159897335
5,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 142519126
1,1-diethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753376
26-thia-2,9,14-triazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(17),3,5,7,9,11(16),12,14,18,20,22,24,27-tridecaene
CID 163503873
1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 105066358
4-[[11-[2,6-di(propan-2-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-4-yl]oxy]-11,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
CID 154610859

Frequently Asked Questions

What is the IUPAC name of benzimidazolo[1,2-a][1,6]naphthyridin-6-yl(ethoxy)methanol?
The IUPAC name of benzimidazolo[1,2-a][1,6]naphthyridin-6-yl(ethoxy)methanol (CID 163724357) is benzimidazolo[1,2-a][1,6]naphthyridin-6-yl(ethoxy)methanol.
What is the SMILES notation for benzimidazolo[1,2-a][1,6]naphthyridin-6-yl(ethoxy)methanol?
The canonical SMILES for benzimidazolo[1,2-a][1,6]naphthyridin-6-yl(ethoxy)methanol is CCOC(O)c1cc2cnccc2n2c1nc1ccccc12.
What is the InChIKey of benzimidazolo[1,2-a][1,6]naphthyridin-6-yl(ethoxy)methanol?
The InChIKey is KUHLAVVDFMKGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-2-22-17(21)12-9-11-10-18-8-7-14(11)20-15-6-4-3-5-13(15)19-16(12)20/h3-10,17,21H,2H2,1H3.
What are the key properties of benzimidazolo[1,2-a][1,6]naphthyridin-6-yl(ethoxy)methanol?
benzimidazolo[1,2-a][1,6]naphthyridin-6-yl(ethoxy)methanol has a molecular weight of 293.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzimidazolo[1,2-a][1,6]naphthyridin-6-yl(ethoxy)methanol is sourced from PubChem (CID 163724357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).