2-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol

C22H29N5O — CID 58796990

IUPAC2-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol
SMILESCN(C)CCCNc1nc(CN(C)Cc2ccccc2O)nc2ccccc12
InChIInChI=1S/C22H29N5O/c1-26(2)14-8-13-23-22-18-10-5-6-11-19(18)24-21(25-22)16-27(3)15-17-9-4-7-12-20(17)28/h4-7,9-12,28H,8,13-16H2,1-3H3,(H,23,24,25)
InChIKeyLEEXGDINOPMLED-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.33
Rot. Bonds9

About 2-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol

2-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol (PubChem CID 58796990) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol
PubChem CID58796990
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name2-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol
SMILESCN(C)CCCNc1nc(CN(C)Cc2ccccc2O)nc2ccccc12
InChIInChI=1S/C22H29N5O/c1-26(2)14-8-13-23-22-18-10-5-6-11-19(18)24-21(25-22)16-27(3)15-17-9-4-7-12-20(17)28/h4-7,9-12,28H,8,13-16H2,1-3H3,(H,23,24,25)
InChIKeyLEEXGDINOPMLED-UHFFFAOYSA-N
XLogP3.33
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol?
The IUPAC name of 2-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol (CID 58796990) is 2-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol.
What is the SMILES notation for 2-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol?
The canonical SMILES for 2-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol is CN(C)CCCNc1nc(CN(C)Cc2ccccc2O)nc2ccccc12.
What is the InChIKey of 2-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol?
The InChIKey is LEEXGDINOPMLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-26(2)14-8-13-23-22-18-10-5-6-11-19(18)24-21(25-22)16-27(3)15-17-9-4-7-12-20(17)28/h4-7,9-12,28H,8,13-16H2,1-3H3,(H,23,24,25).
What are the key properties of 2-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol?
2-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol has a molecular weight of 379.51 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol is sourced from PubChem (CID 58796990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).