7-[[4-amino-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]methoxy]-4-methylchromen-2-one

C24H19N5O3 — CID 171348199

IUPAC7-[[4-amino-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]methoxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OCc3nc(N)nc(Nc4ccc5ccccc5c4)n3)ccc12
InChIInChI=1S/C24H19N5O3/c1-14-10-22(30)32-20-12-18(8-9-19(14)20)31-13-21-27-23(25)29-24(28-21)26-17-7-6-15-4-2-3-5-16(15)11-17/h2-12H,13H2,1H3,(H3,25,26,27,28,29)
InChIKeyNXEZWVVLIUZJPK-UHFFFAOYSA-N
MW425.45 g/mol
LogP4.34
Rot. Bonds5

About 7-[[4-amino-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]methoxy]-4-methylchromen-2-one

7-[[4-amino-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]methoxy]-4-methylchromen-2-one (PubChem CID 171348199) has the molecular formula C24H19N5O3 and a molecular weight of 425.45 g/mol. Its IUPAC name is 7-[[4-amino-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]methoxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[[4-amino-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]methoxy]-4-methylchromen-2-one
PubChem CID171348199
Molecular FormulaC24H19N5O3
Molecular Weight425.45 g/mol
Exact Mass425.15
IUPAC Name7-[[4-amino-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]methoxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OCc3nc(N)nc(Nc4ccc5ccccc5c4)n3)ccc12
InChIInChI=1S/C24H19N5O3/c1-14-10-22(30)32-20-12-18(8-9-19(14)20)31-13-21-27-23(25)29-24(28-21)26-17-7-6-15-4-2-3-5-16(15)11-17/h2-12H,13H2,1H3,(H3,25,26,27,28,29)
InChIKeyNXEZWVVLIUZJPK-UHFFFAOYSA-N
XLogP4.34
TPSA116.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 7-[[4-amino-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]methoxy]-4-methylchromen-2-one with MolForge

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Related Compounds

7-[[4-amino-6-(4-chloro-3-methylanilino)-1,3,5-triazin-2-yl]methoxy]chromen-2-one
CID 139015091
7-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methoxy]-4-propylchromen-2-one
CID 38916991
7-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methoxy]-6-chloro-4-methylchromen-2-one
CID 30833957
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
4-methyl-7-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]chromen-2-one
CID 164886608
4-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
CID 882295
4-methyl-7-[(4-methylquinoxalin-4-ium-2-yl)methoxy]chromen-2-one
CID 15434334
[4-amino-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]methyl N,N-dimethylcarbamimidate
CID 177284860
[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 4-oxochromene-2-carboxylate
CID 7614759
7-anilino-4-methylchromen-2-one
CID 804341
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
4-methyl-7-[(4-propan-2-ylphenyl)methoxy]chromen-2-one
CID 14798404

Frequently Asked Questions

What is the IUPAC name of 7-[[4-amino-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]methoxy]-4-methylchromen-2-one?
The IUPAC name of 7-[[4-amino-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]methoxy]-4-methylchromen-2-one (CID 171348199) is 7-[[4-amino-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]methoxy]-4-methylchromen-2-one.
What is the SMILES notation for 7-[[4-amino-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]methoxy]-4-methylchromen-2-one?
The canonical SMILES for 7-[[4-amino-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]methoxy]-4-methylchromen-2-one is Cc1cc(=O)oc2cc(OCc3nc(N)nc(Nc4ccc5ccccc5c4)n3)ccc12.
What is the InChIKey of 7-[[4-amino-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]methoxy]-4-methylchromen-2-one?
The InChIKey is NXEZWVVLIUZJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3/c1-14-10-22(30)32-20-12-18(8-9-19(14)20)31-13-21-27-23(25)29-24(28-21)26-17-7-6-15-4-2-3-5-16(15)11-17/h2-12H,13H2,1H3,(H3,25,26,27,28,29).
What are the key properties of 7-[[4-amino-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]methoxy]-4-methylchromen-2-one?
7-[[4-amino-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]methoxy]-4-methylchromen-2-one has a molecular weight of 425.45 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-amino-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]methoxy]-4-methylchromen-2-one is sourced from PubChem (CID 171348199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).