3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid

C17H21N3O2 — CID 42809423

IUPAC3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid
SMILESCCCN(CCC(=O)O)c1nc(C2CC2)nc2ccccc12
InChIInChI=1S/C17H21N3O2/c1-2-10-20(11-9-15(21)22)17-13-5-3-4-6-14(13)18-16(19-17)12-7-8-12/h3-6,12H,2,7-11H2,1H3,(H,21,22)
InChIKeyDPOTWNFOHUNAHW-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.20
Rot. Bonds7

About 3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid

3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid (PubChem CID 42809423) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid
PubChem CID42809423
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid
SMILESCCCN(CCC(=O)O)c1nc(C2CC2)nc2ccccc12
InChIInChI=1S/C17H21N3O2/c1-2-10-20(11-9-15(21)22)17-13-5-3-4-6-14(13)18-16(19-17)12-7-8-12/h3-6,12H,2,7-11H2,1H3,(H,21,22)
InChIKeyDPOTWNFOHUNAHW-UHFFFAOYSA-N
XLogP3.20
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-methyl-4-N,4-N-dipropylquinazoline-2,4-diamine
CID 80764587
3-[(2-cyclopropylquinazolin-4-yl)-propan-2-ylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 42809452
N-benzyl-3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]propanamide
CID 83281785
2-N-ethyl-4-N,4-N-dipropylquinazoline-2,4-diamine
CID 80763784
3-[2-carboxyethyl-(2-pyridin-2-ylquinazolin-4-yl)amino]propanoic acid
CID 59273870
2-cyclopropyl-4-methylquinazoline
CID 125485974
2-[[2-(methylamino)quinazolin-4-yl]-propylamino]ethanol
CID 80795390
N-[(2R)-butan-2-yl]-3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]propanamide
CID 93140373
1-(4-ethylpiperazin-1-yl)-3-[(2-phenylquinazolin-4-yl)-propylamino]propan-1-one
CID 42809522
2-chloro-N-(cyclopropylmethyl)-N-propylquinazolin-4-amine
CID 55081167
3-(2-amino-N-propylanilino)propanoic acid
CID 63118513
3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]-N-(furan-2-ylmethyl)propanamide
CID 83273334

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid?
The IUPAC name of 3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid (CID 42809423) is 3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid.
What is the SMILES notation for 3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid?
The canonical SMILES for 3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid is CCCN(CCC(=O)O)c1nc(C2CC2)nc2ccccc12.
What is the InChIKey of 3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid?
The InChIKey is DPOTWNFOHUNAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-10-20(11-9-15(21)22)17-13-5-3-4-6-14(13)18-16(19-17)12-7-8-12/h3-6,12H,2,7-11H2,1H3,(H,21,22).
What are the key properties of 3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid?
3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid has a molecular weight of 299.37 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid is sourced from PubChem (CID 42809423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).