4-(benzotriazol-1-yl)-N,N-diethyl-2-(4-methoxyphenyl)-4H-chromen-7-amine

C26H26N4O2 — CID 10812358

IUPAC4-(benzotriazol-1-yl)-N,N-diethyl-2-(4-methoxyphenyl)-4H-chromen-7-amine
SMILESCCN(CC)c1ccc2c(c1)OC(c1ccc(OC)cc1)=CC2n1nnc2ccccc21
InChIInChI=1S/C26H26N4O2/c1-4-29(5-2)19-12-15-21-24(30-23-9-7-6-8-22(23)27-28-30)17-25(32-26(21)16-19)18-10-13-20(31-3)14-11-18/h6-17,24H,4-5H2,1-3H3
InChIKeyPDPXEKQZTNQXHE-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.31
Rot. Bonds6

About 4-(benzotriazol-1-yl)-N,N-diethyl-2-(4-methoxyphenyl)-4H-chromen-7-amine

4-(benzotriazol-1-yl)-N,N-diethyl-2-(4-methoxyphenyl)-4H-chromen-7-amine (PubChem CID 10812358) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-(benzotriazol-1-yl)-N,N-diethyl-2-(4-methoxyphenyl)-4H-chromen-7-amine.

Molecular Properties

Compound Name4-(benzotriazol-1-yl)-N,N-diethyl-2-(4-methoxyphenyl)-4H-chromen-7-amine
PubChem CID10812358
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name4-(benzotriazol-1-yl)-N,N-diethyl-2-(4-methoxyphenyl)-4H-chromen-7-amine
SMILESCCN(CC)c1ccc2c(c1)OC(c1ccc(OC)cc1)=CC2n1nnc2ccccc21
InChIInChI=1S/C26H26N4O2/c1-4-29(5-2)19-12-15-21-24(30-23-9-7-6-8-22(23)27-28-30)17-25(32-26(21)16-19)18-10-13-20(31-3)14-11-18/h6-17,24H,4-5H2,1-3H3
InChIKeyPDPXEKQZTNQXHE-UHFFFAOYSA-N
XLogP5.31
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-1-yl)-N,N-diethyl-2-(4-methoxyphenyl)-4H-chromen-7-amine?
The IUPAC name of 4-(benzotriazol-1-yl)-N,N-diethyl-2-(4-methoxyphenyl)-4H-chromen-7-amine (CID 10812358) is 4-(benzotriazol-1-yl)-N,N-diethyl-2-(4-methoxyphenyl)-4H-chromen-7-amine.
What is the SMILES notation for 4-(benzotriazol-1-yl)-N,N-diethyl-2-(4-methoxyphenyl)-4H-chromen-7-amine?
The canonical SMILES for 4-(benzotriazol-1-yl)-N,N-diethyl-2-(4-methoxyphenyl)-4H-chromen-7-amine is CCN(CC)c1ccc2c(c1)OC(c1ccc(OC)cc1)=CC2n1nnc2ccccc21.
What is the InChIKey of 4-(benzotriazol-1-yl)-N,N-diethyl-2-(4-methoxyphenyl)-4H-chromen-7-amine?
The InChIKey is PDPXEKQZTNQXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-4-29(5-2)19-12-15-21-24(30-23-9-7-6-8-22(23)27-28-30)17-25(32-26(21)16-19)18-10-13-20(31-3)14-11-18/h6-17,24H,4-5H2,1-3H3.
What are the key properties of 4-(benzotriazol-1-yl)-N,N-diethyl-2-(4-methoxyphenyl)-4H-chromen-7-amine?
4-(benzotriazol-1-yl)-N,N-diethyl-2-(4-methoxyphenyl)-4H-chromen-7-amine has a molecular weight of 426.52 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-1-yl)-N,N-diethyl-2-(4-methoxyphenyl)-4H-chromen-7-amine is sourced from PubChem (CID 10812358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).