anilino-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]amino]phenyl]methanol

C26H30N4O — CID 129228915

IUPACanilino-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]amino]phenyl]methanol
SMILESCN(C)CCCn1ccc2cc(Nc3ccc(C(O)Nc4ccccc4)cc3)ccc21
InChIInChI=1S/C26H30N4O/c1-29(2)16-6-17-30-18-15-21-19-24(13-14-25(21)30)27-23-11-9-20(10-12-23)26(31)28-22-7-4-3-5-8-22/h3-5,7-15,18-19,26-28,31H,6,16-17H2,1-2H3
InChIKeyNQVFFRFVJQCMJR-UHFFFAOYSA-N
MW414.55 g/mol
LogP5.44
Rot. Bonds9

About anilino-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]amino]phenyl]methanol

anilino-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]amino]phenyl]methanol (PubChem CID 129228915) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is anilino-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]amino]phenyl]methanol.

Molecular Properties

Compound Nameanilino-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]amino]phenyl]methanol
PubChem CID129228915
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC Nameanilino-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]amino]phenyl]methanol
SMILESCN(C)CCCn1ccc2cc(Nc3ccc(C(O)Nc4ccccc4)cc3)ccc21
InChIInChI=1S/C26H30N4O/c1-29(2)16-6-17-30-18-15-21-19-24(13-14-25(21)30)27-23-11-9-20(10-12-23)26(31)28-22-7-4-3-5-8-22/h3-5,7-15,18-19,26-28,31H,6,16-17H2,1-2H3
InChIKeyNQVFFRFVJQCMJR-UHFFFAOYSA-N
XLogP5.44
TPSA52.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anilino-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]amino]phenyl]methanol?
The IUPAC name of anilino-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]amino]phenyl]methanol (CID 129228915) is anilino-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]amino]phenyl]methanol.
What is the SMILES notation for anilino-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]amino]phenyl]methanol?
The canonical SMILES for anilino-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]amino]phenyl]methanol is CN(C)CCCn1ccc2cc(Nc3ccc(C(O)Nc4ccccc4)cc3)ccc21.
What is the InChIKey of anilino-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]amino]phenyl]methanol?
The InChIKey is NQVFFRFVJQCMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O/c1-29(2)16-6-17-30-18-15-21-19-24(13-14-25(21)30)27-23-11-9-20(10-12-23)26(31)28-22-7-4-3-5-8-22/h3-5,7-15,18-19,26-28,31H,6,16-17H2,1-2H3.
What are the key properties of anilino-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]amino]phenyl]methanol?
anilino-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]amino]phenyl]methanol has a molecular weight of 414.55 g/mol, XLogP of 5.44, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for anilino-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]amino]phenyl]methanol is sourced from PubChem (CID 129228915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).