4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid

C15H20N4O2 — CID 62407799

IUPAC4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid
SMILESCCN(CC)CCNc1nc(C(=O)O)nc2ccccc12
InChIInChI=1S/C15H20N4O2/c1-3-19(4-2)10-9-16-13-11-7-5-6-8-12(11)17-14(18-13)15(20)21/h5-8H,3-4,9-10H2,1-2H3,(H,20,21)(H,16,17,18)
InChIKeyHTSOOSAFMKAJHP-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.08
Rot. Bonds7

About 4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid

4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid (PubChem CID 62407799) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid
PubChem CID62407799
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid
SMILESCCN(CC)CCNc1nc(C(=O)O)nc2ccccc12
InChIInChI=1S/C15H20N4O2/c1-3-19(4-2)10-9-16-13-11-7-5-6-8-12(11)17-14(18-13)15(20)21/h5-8H,3-4,9-10H2,1-2H3,(H,20,21)(H,16,17,18)
InChIKeyHTSOOSAFMKAJHP-UHFFFAOYSA-N
XLogP2.08
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride
CID 21412321
4-(4-hydroxypentylamino)quinazoline-2-carboxylic acid
CID 106136485
4-(2,2-dimethylpropylamino)quinazoline-2-carboxylic acid
CID 63867718
4-(2-butoxyethylamino)quinazoline-2-carboxylic acid
CID 63867859
4-(6-hydroxyhexylamino)quinazoline-2-carboxylic acid
CID 107853406
4-(methylamino)quinazoline-2-carboxylic acid
CID 63867097
4-(2,2-dimethylhydrazinyl)quinazoline-2-carboxylic acid
CID 83016198
4-[(2-methoxy-2-methylpropyl)amino]quinazoline-2-carboxylic acid
CID 104762210
4-[[[4-[2-(diethylamino)ethylamino]quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide
CID 67719987
2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]quinazoline-2,4-diamine
CID 12703241
N',N'-diethyl-N-(2-hydrazinylquinazolin-4-yl)propane-1,3-diamine
CID 80938208
4-(cyclopentylmethylamino)quinazoline-2-carboxylic acid
CID 63869094

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid?
The IUPAC name of 4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid (CID 62407799) is 4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid.
What is the SMILES notation for 4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid?
The canonical SMILES for 4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid is CCN(CC)CCNc1nc(C(=O)O)nc2ccccc12.
What is the InChIKey of 4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid?
The InChIKey is HTSOOSAFMKAJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-19(4-2)10-9-16-13-11-7-5-6-8-12(11)17-14(18-13)15(20)21/h5-8H,3-4,9-10H2,1-2H3,(H,20,21)(H,16,17,18).
What are the key properties of 4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid?
4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid is sourced from PubChem (CID 62407799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).