2-[[4-chloro-6-(3-hydroxyanilino)-1,3,5-triazin-2-yl]amino]naphthalen-1-ol

C19H14ClN5O2 — CID 171400055

IUPAC2-[[4-chloro-6-(3-hydroxyanilino)-1,3,5-triazin-2-yl]amino]naphthalen-1-ol
SMILESOc1cccc(Nc2nc(Cl)nc(Nc3ccc4ccccc4c3O)n2)c1
InChIInChI=1S/C19H14ClN5O2/c20-17-23-18(21-12-5-3-6-13(26)10-12)25-19(24-17)22-15-9-8-11-4-1-2-7-14(11)16(15)27/h1-10,26-27H,(H2,21,22,23,24,25)
InChIKeySICUYLQWFCSPGS-UHFFFAOYSA-N
MW379.81 g/mol
LogP4.58
Rot. Bonds4

About 2-[[4-chloro-6-(3-hydroxyanilino)-1,3,5-triazin-2-yl]amino]naphthalen-1-ol

2-[[4-chloro-6-(3-hydroxyanilino)-1,3,5-triazin-2-yl]amino]naphthalen-1-ol (PubChem CID 171400055) has the molecular formula C19H14ClN5O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is 2-[[4-chloro-6-(3-hydroxyanilino)-1,3,5-triazin-2-yl]amino]naphthalen-1-ol.

Molecular Properties

Compound Name2-[[4-chloro-6-(3-hydroxyanilino)-1,3,5-triazin-2-yl]amino]naphthalen-1-ol
PubChem CID171400055
Molecular FormulaC19H14ClN5O2
Molecular Weight379.81 g/mol
Exact Mass379.08
IUPAC Name2-[[4-chloro-6-(3-hydroxyanilino)-1,3,5-triazin-2-yl]amino]naphthalen-1-ol
SMILESOc1cccc(Nc2nc(Cl)nc(Nc3ccc4ccccc4c3O)n2)c1
InChIInChI=1S/C19H14ClN5O2/c20-17-23-18(21-12-5-3-6-13(26)10-12)25-19(24-17)22-15-9-8-11-4-1-2-7-14(11)16(15)27/h1-10,26-27H,(H2,21,22,23,24,25)
InChIKeySICUYLQWFCSPGS-UHFFFAOYSA-N
XLogP4.58
TPSA103.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 54.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692943
[3-[[4-(3-boronoanilino)-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]boronic acid
CID 132915588
3-[[4-[3-[[4,6-bis(3-hydroxyanilino)-1,3,5-triazin-2-yl]methyl]anilino]-6-(3-hydroxyanilino)-1,3,5-triazin-2-yl]methyl]phenol
CID 159987030
4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-methylphenol
CID 101088452
3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol chloride
CID 53351223
3-[[4-methyl-6-[3-(methylamino)anilino]-1,3,5-triazin-2-yl]amino]phenol
CID 123576120
3-[[4,6-bis(3-hydroxyanilino)-1,3,5-triazin-2-yl]amino]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol;bis(2-methylpropane);phenol
CID 165088934
4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 768151
N-[3-(aminomethyl)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 170875456
6-chloro-2-N-(3-chlorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 53418673
2-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)amino]naphthalene-1-sulfonic acid
CID 58879252
4-[[4,6-bis(3,5-dihydroxyanilino)-1,3,5-triazin-2-yl]amino]benzene-1,3-diol
CID 58185768

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(3-hydroxyanilino)-1,3,5-triazin-2-yl]amino]naphthalen-1-ol?
The IUPAC name of 2-[[4-chloro-6-(3-hydroxyanilino)-1,3,5-triazin-2-yl]amino]naphthalen-1-ol (CID 171400055) is 2-[[4-chloro-6-(3-hydroxyanilino)-1,3,5-triazin-2-yl]amino]naphthalen-1-ol.
What is the SMILES notation for 2-[[4-chloro-6-(3-hydroxyanilino)-1,3,5-triazin-2-yl]amino]naphthalen-1-ol?
The canonical SMILES for 2-[[4-chloro-6-(3-hydroxyanilino)-1,3,5-triazin-2-yl]amino]naphthalen-1-ol is Oc1cccc(Nc2nc(Cl)nc(Nc3ccc4ccccc4c3O)n2)c1.
What is the InChIKey of 2-[[4-chloro-6-(3-hydroxyanilino)-1,3,5-triazin-2-yl]amino]naphthalen-1-ol?
The InChIKey is SICUYLQWFCSPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2/c20-17-23-18(21-12-5-3-6-13(26)10-12)25-19(24-17)22-15-9-8-11-4-1-2-7-14(11)16(15)27/h1-10,26-27H,(H2,21,22,23,24,25).
What are the key properties of 2-[[4-chloro-6-(3-hydroxyanilino)-1,3,5-triazin-2-yl]amino]naphthalen-1-ol?
2-[[4-chloro-6-(3-hydroxyanilino)-1,3,5-triazin-2-yl]amino]naphthalen-1-ol has a molecular weight of 379.81 g/mol, XLogP of 4.58, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(3-hydroxyanilino)-1,3,5-triazin-2-yl]amino]naphthalen-1-ol is sourced from PubChem (CID 171400055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).