2-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]propanoic acid

C14H18N4O2 — CID 21003994

IUPAC2-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]propanoic acid
SMILESCC(Nc1nc(CN(C)C)nc2ccccc12)C(=O)O
InChIInChI=1S/C14H18N4O2/c1-9(14(19)20)15-13-10-6-4-5-7-11(10)16-12(17-13)8-18(2)3/h4-7,9H,8H2,1-3H3,(H,19,20)(H,15,16,17)
InChIKeyGCMWUXCSFMVSFI-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.58
Rot. Bonds5

About 2-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]propanoic acid

2-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]propanoic acid (PubChem CID 21003994) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]propanoic acid
PubChem CID21003994
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]propanoic acid
SMILESCC(Nc1nc(CN(C)C)nc2ccccc12)C(=O)O
InChIInChI=1S/C14H18N4O2/c1-9(14(19)20)15-13-10-6-4-5-7-11(10)16-12(17-13)8-18(2)3/h4-7,9H,8H2,1-3H3,(H,19,20)(H,15,16,17)
InChIKeyGCMWUXCSFMVSFI-UHFFFAOYSA-N
XLogP1.58
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]pentanedioic acid
CID 21004008
2-[(2-propan-2-ylquinazolin-4-yl)amino]propanoic acid
CID 21003858
(2R)-2-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]-3-hydroxypropanoic acid
CID 1424418
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
CID 122058325
2-[2-[(dimethylamino)methyl]quinazolin-4-yl]sulfanylpropanoic acid
CID 21004046
(2S)-2-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]propanoate
CID 6985470
N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]propane-1,3-diamine
CID 143396865
(2R)-2-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]-4-methylsulfanylbutanoic acid
CID 2061832
2-[[2-(pyridin-4-ylamino)quinazolin-4-yl]amino]propanoic acid
CID 91964013
2-[(2-chloroquinazolin-4-yl)amino]-3-hydroxypropanoic acid
CID 22693090
2-[[2-(3-chloroanilino)quinazolin-4-yl]amino]propanoic acid
CID 91963906
2-[(2-aminoquinazolin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 103114058

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]propanoic acid?
The IUPAC name of 2-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]propanoic acid (CID 21003994) is 2-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]propanoic acid?
The canonical SMILES for 2-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]propanoic acid is CC(Nc1nc(CN(C)C)nc2ccccc12)C(=O)O.
What is the InChIKey of 2-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]propanoic acid?
The InChIKey is GCMWUXCSFMVSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9(14(19)20)15-13-10-6-4-5-7-11(10)16-12(17-13)8-18(2)3/h4-7,9H,8H2,1-3H3,(H,19,20)(H,15,16,17).
What are the key properties of 2-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]propanoic acid?
2-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]propanoic acid has a molecular weight of 274.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]propanoic acid is sourced from PubChem (CID 21003994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).