[1-ethyl-5-[methyl-(2-methylquinazolin-4-yl)amino]indol-2-yl]methanol

C21H22N4O — CID 166630507

IUPAC[1-ethyl-5-[methyl-(2-methylquinazolin-4-yl)amino]indol-2-yl]methanol
SMILESCCn1c(CO)cc2cc(N(C)c3nc(C)nc4ccccc34)ccc21
InChIInChI=1S/C21H22N4O/c1-4-25-17(13-26)12-15-11-16(9-10-20(15)25)24(3)21-18-7-5-6-8-19(18)22-14(2)23-21/h5-12,26H,4,13H2,1-3H3
InChIKeyFDENVCDRDMNEBW-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.17
Rot. Bonds4

About [1-ethyl-5-[methyl-(2-methylquinazolin-4-yl)amino]indol-2-yl]methanol

[1-ethyl-5-[methyl-(2-methylquinazolin-4-yl)amino]indol-2-yl]methanol (PubChem CID 166630507) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is [1-ethyl-5-[methyl-(2-methylquinazolin-4-yl)amino]indol-2-yl]methanol.

Molecular Properties

Compound Name[1-ethyl-5-[methyl-(2-methylquinazolin-4-yl)amino]indol-2-yl]methanol
PubChem CID166630507
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name[1-ethyl-5-[methyl-(2-methylquinazolin-4-yl)amino]indol-2-yl]methanol
SMILESCCn1c(CO)cc2cc(N(C)c3nc(C)nc4ccccc34)ccc21
InChIInChI=1S/C21H22N4O/c1-4-25-17(13-26)12-15-11-16(9-10-20(15)25)24(3)21-18-7-5-6-8-19(18)22-14(2)23-21/h5-12,26H,4,13H2,1-3H3
InChIKeyFDENVCDRDMNEBW-UHFFFAOYSA-N
XLogP4.17
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-[methyl-(2-methylquinazolin-4-yl)amino]indol-2-yl]methanol?
The IUPAC name of [1-ethyl-5-[methyl-(2-methylquinazolin-4-yl)amino]indol-2-yl]methanol (CID 166630507) is [1-ethyl-5-[methyl-(2-methylquinazolin-4-yl)amino]indol-2-yl]methanol.
What is the SMILES notation for [1-ethyl-5-[methyl-(2-methylquinazolin-4-yl)amino]indol-2-yl]methanol?
The canonical SMILES for [1-ethyl-5-[methyl-(2-methylquinazolin-4-yl)amino]indol-2-yl]methanol is CCn1c(CO)cc2cc(N(C)c3nc(C)nc4ccccc34)ccc21.
What is the InChIKey of [1-ethyl-5-[methyl-(2-methylquinazolin-4-yl)amino]indol-2-yl]methanol?
The InChIKey is FDENVCDRDMNEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-4-25-17(13-26)12-15-11-16(9-10-20(15)25)24(3)21-18-7-5-6-8-19(18)22-14(2)23-21/h5-12,26H,4,13H2,1-3H3.
What are the key properties of [1-ethyl-5-[methyl-(2-methylquinazolin-4-yl)amino]indol-2-yl]methanol?
[1-ethyl-5-[methyl-(2-methylquinazolin-4-yl)amino]indol-2-yl]methanol has a molecular weight of 346.43 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-[methyl-(2-methylquinazolin-4-yl)amino]indol-2-yl]methanol is sourced from PubChem (CID 166630507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).