4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]butanoic acid;hydrochloride

C16H23ClN4O2 — CID 20982620

IUPAC4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]butanoic acid;hydrochloride
SMILESCN(C)CCc1nc(NCCCC(=O)O)c2ccccc2n1.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-20(2)11-9-14-18-13-7-4-3-6-12(13)16(19-14)17-10-5-8-15(21)22;/h3-4,6-7H,5,8-11H2,1-2H3,(H,21,22)(H,17,18,19);1H
InChIKeyCWFOYOJDOHFSFS-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.43
Rot. Bonds8

About 4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]butanoic acid;hydrochloride

4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]butanoic acid;hydrochloride (PubChem CID 20982620) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]butanoic acid;hydrochloride.

Molecular Properties

Compound Name4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]butanoic acid;hydrochloride
PubChem CID20982620
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]butanoic acid;hydrochloride
SMILESCN(C)CCc1nc(NCCCC(=O)O)c2ccccc2n1.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-20(2)11-9-14-18-13-7-4-3-6-12(13)16(19-14)17-10-5-8-15(21)22;/h3-4,6-7H,5,8-11H2,1-2H3,(H,21,22)(H,17,18,19);1H
InChIKeyCWFOYOJDOHFSFS-UHFFFAOYSA-N
XLogP2.43
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(dimethylamino)ethyl]-N-methylquinazolin-4-amine
CID 1414265
4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]benzoic acid;hydrochloride
CID 20982609
(2R)-2-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]-3-hydroxypropanoic acid
CID 1424418
methyl 4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]-4-oxobutanoate
CID 58797313
2-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol
CID 58796990
N-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]-N-methylcycloheptanecarboxamide
CID 58797499
1-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]-3-(2,6-dimethylphenyl)-1-methylurea
CID 58797256
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
(2R)-2-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]-4-methylsulfanylbutanoic acid
CID 2061832
N-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 58796996
methyl 4-[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]-4-oxobutanoate
CID 58809356

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]butanoic acid;hydrochloride?
The IUPAC name of 4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]butanoic acid;hydrochloride (CID 20982620) is 4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]butanoic acid;hydrochloride.
What is the SMILES notation for 4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]butanoic acid;hydrochloride?
The canonical SMILES for 4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]butanoic acid;hydrochloride is CN(C)CCc1nc(NCCCC(=O)O)c2ccccc2n1.Cl.
What is the InChIKey of 4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]butanoic acid;hydrochloride?
The InChIKey is CWFOYOJDOHFSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.ClH/c1-20(2)11-9-14-18-13-7-4-3-6-12(13)16(19-14)17-10-5-8-15(21)22;/h3-4,6-7H,5,8-11H2,1-2H3,(H,21,22)(H,17,18,19);1H.
What are the key properties of 4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]butanoic acid;hydrochloride?
4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]butanoic acid;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]butanoic acid;hydrochloride is sourced from PubChem (CID 20982620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).