1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-ol

C21H16N2O — CID 136706051

IUPAC1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-ol
SMILESCc1ccc2cccc(/N=C/c3c(O)ccc4ccccc34)c2n1
InChIInChI=1S/C21H16N2O/c1-14-9-10-16-6-4-8-19(21(16)23-14)22-13-18-17-7-3-2-5-15(17)11-12-20(18)24/h2-13,24H,1H3/b22-13+
InChIKeyCTSRCKCEGZJIRO-LPYMAVHISA-N
MW312.37 g/mol
LogP5.15
Rot. Bonds2

About 1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-ol

1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-ol (PubChem CID 136706051) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-ol
PubChem CID136706051
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-ol
SMILESCc1ccc2cccc(/N=C/c3c(O)ccc4ccccc34)c2n1
InChIInChI=1S/C21H16N2O/c1-14-9-10-16-6-4-8-19(21(16)23-14)22-13-18-17-7-3-2-5-15(17)11-12-20(18)24/h2-13,24H,1H3/b22-13+
InChIKeyCTSRCKCEGZJIRO-LPYMAVHISA-N
XLogP5.15
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.37
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 9950038
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CID 44467662
(1S,14R,15R)-25-(2-methylpropyl)-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-20-ol
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(1R,14S,15R)-6-(dimethylamino)-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3(12),4,6,8,10,17(22),18,20-octaene-14,20-diol;hydrochloride
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4-Methyl-2-[(quinolin-8-ylamino)methyl]phenol
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-ol (CID 136706051) is 1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-ol is Cc1ccc2cccc(/N=C/c3c(O)ccc4ccccc34)c2n1.
What is the InChIKey of 1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-ol?
The InChIKey is CTSRCKCEGZJIRO-LPYMAVHISA-N. The full InChI is InChI=1S/C21H16N2O/c1-14-9-10-16-6-4-8-19(21(16)23-14)22-13-18-17-7-3-2-5-15(17)11-12-20(18)24/h2-13,24H,1H3/b22-13+.
What are the key properties of 1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-ol?
1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-ol has a molecular weight of 312.37 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 136706051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).