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

C22H29N5O — CID 58797282

IUPAC3-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol
SMILESCN(C)CCCNc1nc(CN(C)Cc2cccc(O)c2)nc2ccccc12
InChIInChI=1S/C22H29N5O/c1-26(2)13-7-12-23-22-19-10-4-5-11-20(19)24-21(25-22)16-27(3)15-17-8-6-9-18(28)14-17/h4-6,8-11,14,28H,7,12-13,15-16H2,1-3H3,(H,23,24,25)
InChIKeyGTVUNSYOGFSBRG-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.33
Rot. Bonds9

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

3-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol (PubChem CID 58797282) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 3-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol
PubChem CID58797282
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name3-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol
SMILESCN(C)CCCNc1nc(CN(C)Cc2cccc(O)c2)nc2ccccc12
InChIInChI=1S/C22H29N5O/c1-26(2)13-7-12-23-22-19-10-4-5-11-20(19)24-21(25-22)16-27(3)15-17-8-6-9-18(28)14-17/h4-6,8-11,14,28H,7,12-13,15-16H2,1-3H3,(H,23,24,25)
InChIKeyGTVUNSYOGFSBRG-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

2-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol
CID 58796990
N',N'-dimethyl-N-[2-[[methyl-[(2-methylsulfanylphenyl)methyl]amino]methyl]quinazolin-4-yl]propane-1,3-diamine
CID 58797160
1-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]-3-(2,6-dimethylphenyl)-1-methylurea
CID 58797256
methyl 4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]-4-oxobutanoate
CID 58797313
N-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]-N-methylcycloheptanecarboxamide
CID 58797499
N'-[2-[[(3-chloro-4-methylphenyl)methyl-methylamino]methyl]quinazolin-4-yl]-N-methylpropane-1,3-diamine
CID 143396502
3-(3-bromophenyl)-1-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]-1-methylurea
CID 58797439
N',N'-dimethyl-N-[2-[[methyl(thian-4-yl)amino]methyl]quinazolin-4-yl]propane-1,3-diamine
CID 58797369
N-[2-[[4-[(3-bromophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 58809721
3-cyano-N-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]-N-methylbenzamide
CID 58797483
N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]propane-1,3-diamine
CID 143396865
3-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]phenol;hydrochloride
CID 20982605

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol?
The IUPAC name of 3-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol (CID 58797282) is 3-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol.
What is the SMILES notation for 3-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol?
The canonical SMILES for 3-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol is CN(C)CCCNc1nc(CN(C)Cc2cccc(O)c2)nc2ccccc12.
What is the InChIKey of 3-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol?
The InChIKey is GTVUNSYOGFSBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-26(2)13-7-12-23-22-19-10-4-5-11-20(19)24-21(25-22)16-27(3)15-17-8-6-9-18(28)14-17/h4-6,8-11,14,28H,7,12-13,15-16H2,1-3H3,(H,23,24,25).
What are the key properties of 3-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol?
3-[[[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 3-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol is sourced from PubChem (CID 58797282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).