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

C19H21ClN4O2 — CID 20982609

IUPAC4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]benzoic acid;hydrochloride
SMILESCN(C)CCc1nc(Nc2ccc(C(=O)O)cc2)c2ccccc2n1.Cl
InChIInChI=1S/C19H20N4O2.ClH/c1-23(2)12-11-17-21-16-6-4-3-5-15(16)18(22-17)20-14-9-7-13(8-10-14)19(24)25;/h3-10H,11-12H2,1-2H3,(H,24,25)(H,20,21,22);1H
InChIKeyUCDJHWWRQOJHKZ-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.60
Rot. Bonds6

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

4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]benzoic acid;hydrochloride (PubChem CID 20982609) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]benzoic acid;hydrochloride.

Molecular Properties

Compound Name4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]benzoic acid;hydrochloride
PubChem CID20982609
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]benzoic acid;hydrochloride
SMILESCN(C)CCc1nc(Nc2ccc(C(=O)O)cc2)c2ccccc2n1.Cl
InChIInChI=1S/C19H20N4O2.ClH/c1-23(2)12-11-17-21-16-6-4-3-5-15(16)18(22-17)20-14-9-7-13(8-10-14)19(24)25;/h3-10H,11-12H2,1-2H3,(H,24,25)(H,20,21,22);1H
InChIKeyUCDJHWWRQOJHKZ-UHFFFAOYSA-N
XLogP3.60
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]benzoic acid;hydrochloride?
The IUPAC name of 4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]benzoic acid;hydrochloride (CID 20982609) is 4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]benzoic acid;hydrochloride.
What is the SMILES notation for 4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]benzoic acid;hydrochloride?
The canonical SMILES for 4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]benzoic acid;hydrochloride is CN(C)CCc1nc(Nc2ccc(C(=O)O)cc2)c2ccccc2n1.Cl.
What is the InChIKey of 4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]benzoic acid;hydrochloride?
The InChIKey is UCDJHWWRQOJHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2.ClH/c1-23(2)12-11-17-21-16-6-4-3-5-15(16)18(22-17)20-14-9-7-13(8-10-14)19(24)25;/h3-10H,11-12H2,1-2H3,(H,24,25)(H,20,21,22);1H.
What are the key properties of 4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]benzoic acid;hydrochloride?
4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]benzoic acid;hydrochloride has a molecular weight of 372.86 g/mol, XLogP of 3.60, 6 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]benzoic acid;hydrochloride is sourced from PubChem (CID 20982609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).