3-[(6-chloro-2-cyclopropylquinoline-4-carbonyl)-propan-2-ylamino]propanoic acid

C19H21ClN2O3 — CID 120520185

IUPAC3-[(6-chloro-2-cyclopropylquinoline-4-carbonyl)-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C19H21ClN2O3/c1-11(2)22(8-7-18(23)24)19(25)15-10-17(12-3-4-12)21-16-6-5-13(20)9-14(15)16/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,23,24)
InChIKeyAUVXASDIJCSNRA-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.09
Rot. Bonds6

About 3-[(6-chloro-2-cyclopropylquinoline-4-carbonyl)-propan-2-ylamino]propanoic acid

3-[(6-chloro-2-cyclopropylquinoline-4-carbonyl)-propan-2-ylamino]propanoic acid (PubChem CID 120520185) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 3-[(6-chloro-2-cyclopropylquinoline-4-carbonyl)-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[(6-chloro-2-cyclopropylquinoline-4-carbonyl)-propan-2-ylamino]propanoic acid
PubChem CID120520185
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name3-[(6-chloro-2-cyclopropylquinoline-4-carbonyl)-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C19H21ClN2O3/c1-11(2)22(8-7-18(23)24)19(25)15-10-17(12-3-4-12)21-16-6-5-13(20)9-14(15)16/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,23,24)
InChIKeyAUVXASDIJCSNRA-UHFFFAOYSA-N
XLogP4.09
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-cyclopropylquinoline-4-carbonyl)-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[(6-chloro-2-cyclopropylquinoline-4-carbonyl)-propan-2-ylamino]propanoic acid (CID 120520185) is 3-[(6-chloro-2-cyclopropylquinoline-4-carbonyl)-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[(6-chloro-2-cyclopropylquinoline-4-carbonyl)-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[(6-chloro-2-cyclopropylquinoline-4-carbonyl)-propan-2-ylamino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12.
What is the InChIKey of 3-[(6-chloro-2-cyclopropylquinoline-4-carbonyl)-propan-2-ylamino]propanoic acid?
The InChIKey is AUVXASDIJCSNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-11(2)22(8-7-18(23)24)19(25)15-10-17(12-3-4-12)21-16-6-5-13(20)9-14(15)16/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,23,24).
What are the key properties of 3-[(6-chloro-2-cyclopropylquinoline-4-carbonyl)-propan-2-ylamino]propanoic acid?
3-[(6-chloro-2-cyclopropylquinoline-4-carbonyl)-propan-2-ylamino]propanoic acid has a molecular weight of 360.84 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2-cyclopropylquinoline-4-carbonyl)-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 120520185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).