(2R)-2-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]-3-hydroxypropanoic acid

C15H20N4O3 — CID 1424418

IUPAC(2R)-2-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]-3-hydroxypropanoic acid
SMILESCN(C)CCc1nc(N[C@H](CO)C(=O)O)c2ccccc2n1
InChIInChI=1S/C15H20N4O3/c1-19(2)8-7-13-16-11-6-4-3-5-10(11)14(18-13)17-12(9-20)15(21)22/h3-6,12,20H,7-9H2,1-2H3,(H,21,22)(H,16,17,18)/t12-/m1/s1
InChIKeyKVSTZXYHPWUNBB-GFCCVEGCSA-N
MW304.35 g/mol
LogP0.59
Rot. Bonds7

About (2R)-2-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]-3-hydroxypropanoic acid

(2R)-2-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]-3-hydroxypropanoic acid (PubChem CID 1424418) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (2R)-2-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]-3-hydroxypropanoic acid
PubChem CID1424418
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name(2R)-2-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]-3-hydroxypropanoic acid
SMILESCN(C)CCc1nc(N[C@H](CO)C(=O)O)c2ccccc2n1
InChIInChI=1S/C15H20N4O3/c1-19(2)8-7-13-16-11-6-4-3-5-10(11)14(18-13)17-12(9-20)15(21)22/h3-6,12,20H,7-9H2,1-2H3,(H,21,22)(H,16,17,18)/t12-/m1/s1
InChIKeyKVSTZXYHPWUNBB-GFCCVEGCSA-N
XLogP0.59
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]-3-hydroxypropanoic acid (CID 1424418) is (2R)-2-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]-3-hydroxypropanoic acid is CN(C)CCc1nc(N[C@H](CO)C(=O)O)c2ccccc2n1.
What is the InChIKey of (2R)-2-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]-3-hydroxypropanoic acid?
The InChIKey is KVSTZXYHPWUNBB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-19(2)8-7-13-16-11-6-4-3-5-10(11)14(18-13)17-12(9-20)15(21)22/h3-6,12,20H,7-9H2,1-2H3,(H,21,22)(H,16,17,18)/t12-/m1/s1.
What are the key properties of (2R)-2-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]-3-hydroxypropanoic acid?
(2R)-2-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]-3-hydroxypropanoic acid has a molecular weight of 304.35 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 1424418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).