acetylene;cyclohexanol;2-methyl-3H-imidazo[4,5-c][1,5]naphthyridine

C18H22N4O — CID 144507488

IUPACacetylene;cyclohexanol;2-methyl-3H-imidazo[4,5-c][1,5]naphthyridine
SMILESC#C.Cc1nc2c(cnc3cccnc32)[nH]1.OC1CCCCC1
InChIInChI=1S/C10H8N4.C6H12O.C2H2/c1-6-13-8-5-12-7-3-2-4-11-9(7)10(8)14-6;7-6-4-2-1-3-5-6;1-2/h2-5H,1H3,(H,13,14);6-7H,1-5H2;1-2H
InChIKeyPOFLMTJSDZUWOH-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.38
Rot. Bonds

About acetylene;cyclohexanol;2-methyl-3H-imidazo[4,5-c][1,5]naphthyridine

acetylene;cyclohexanol;2-methyl-3H-imidazo[4,5-c][1,5]naphthyridine (PubChem CID 144507488) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is acetylene;cyclohexanol;2-methyl-3H-imidazo[4,5-c][1,5]naphthyridine.

Molecular Properties

Compound Nameacetylene;cyclohexanol;2-methyl-3H-imidazo[4,5-c][1,5]naphthyridine
PubChem CID144507488
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Nameacetylene;cyclohexanol;2-methyl-3H-imidazo[4,5-c][1,5]naphthyridine
SMILESC#C.Cc1nc2c(cnc3cccnc32)[nH]1.OC1CCCCC1
InChIInChI=1S/C10H8N4.C6H12O.C2H2/c1-6-13-8-5-12-7-3-2-4-11-9(7)10(8)14-6;7-6-4-2-1-3-5-6;1-2/h2-5H,1H3,(H,13,14);6-7H,1-5H2;1-2H
InChIKeyPOFLMTJSDZUWOH-UHFFFAOYSA-N
XLogP3.38
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclohexanol;2,5-dimethyl-1H-pyrrole
CID 145136198
methyl N-[[4-(cyanomethyl)cyclohexyl]-(3H-imidazo[4,5-c][1,5]naphthyridin-2-yl)methyl]carbamate
CID 71212621
4-(aziridin-1-yl)-2-methyl-1H-imidazo[4,5-c]pyridine
CID 142881193
2-methyl-1H-benzimidazole
CID 11984
7,8-dimethoxy-2-methyl-3H-imidazo[4,5-c]quinoline
CID 156713420
ethane;2,4,5-trimethyl-1H-benzimidazole
CID 142026179
2-methyl-1H-imidazo[4,5-b]pyridine;sulfuric acid
CID 172837895
4-hydroxypyrrolidine-2-carbaldehyde;N-methylcyclohexanamine;2-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]-2-pyridin-3-ylacetaldehyde
CID 156892875
(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 95894350
(3S,7R)-2-azatricyclo[5.2.0.01,3]nonane;2-methyl-1H-benzimidazole
CID 142910448
4-methyl-15-(2-methyl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazol-7-yl)-3,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,10,14,16-octaene
CID 118569274
1,1'-biphenyl;cyclohexanol
CID 142137438

Frequently Asked Questions

What is the IUPAC name of acetylene;cyclohexanol;2-methyl-3H-imidazo[4,5-c][1,5]naphthyridine?
The IUPAC name of acetylene;cyclohexanol;2-methyl-3H-imidazo[4,5-c][1,5]naphthyridine (CID 144507488) is acetylene;cyclohexanol;2-methyl-3H-imidazo[4,5-c][1,5]naphthyridine.
What is the SMILES notation for acetylene;cyclohexanol;2-methyl-3H-imidazo[4,5-c][1,5]naphthyridine?
The canonical SMILES for acetylene;cyclohexanol;2-methyl-3H-imidazo[4,5-c][1,5]naphthyridine is C#C.Cc1nc2c(cnc3cccnc32)[nH]1.OC1CCCCC1.
What is the InChIKey of acetylene;cyclohexanol;2-methyl-3H-imidazo[4,5-c][1,5]naphthyridine?
The InChIKey is POFLMTJSDZUWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4.C6H12O.C2H2/c1-6-13-8-5-12-7-3-2-4-11-9(7)10(8)14-6;7-6-4-2-1-3-5-6;1-2/h2-5H,1H3,(H,13,14);6-7H,1-5H2;1-2H.
What are the key properties of acetylene;cyclohexanol;2-methyl-3H-imidazo[4,5-c][1,5]naphthyridine?
acetylene;cyclohexanol;2-methyl-3H-imidazo[4,5-c][1,5]naphthyridine has a molecular weight of 310.40 g/mol, XLogP of 3.38, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;cyclohexanol;2-methyl-3H-imidazo[4,5-c][1,5]naphthyridine is sourced from PubChem (CID 144507488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).