(4-amino-2-cyclopropylquinolin-3-yl) propanoate

C15H16N2O2 — CID 174944760

IUPAC(4-amino-2-cyclopropylquinolin-3-yl) propanoate
SMILESCCC(=O)Oc1c(C2CC2)nc2ccccc2c1N
InChIInChI=1S/C15H16N2O2/c1-2-12(18)19-15-13(16)10-5-3-4-6-11(10)17-14(15)9-7-8-9/h3-6,9H,2,7-8H2,1H3,(H2,16,17)
InChIKeyXVJAOPNXBHXAFP-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.01
Rot. Bonds3

About (4-amino-2-cyclopropylquinolin-3-yl) propanoate

(4-amino-2-cyclopropylquinolin-3-yl) propanoate (PubChem CID 174944760) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is (4-amino-2-cyclopropylquinolin-3-yl) propanoate.

Molecular Properties

Compound Name(4-amino-2-cyclopropylquinolin-3-yl) propanoate
PubChem CID174944760
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name(4-amino-2-cyclopropylquinolin-3-yl) propanoate
SMILESCCC(=O)Oc1c(C2CC2)nc2ccccc2c1N
InChIInChI=1S/C15H16N2O2/c1-2-12(18)19-15-13(16)10-5-3-4-6-11(10)17-14(15)9-7-8-9/h3-6,9H,2,7-8H2,1H3,(H2,16,17)
InChIKeyXVJAOPNXBHXAFP-UHFFFAOYSA-N
XLogP3.01
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-amino-2-cyclopropylquinoline-3-carboxylate
CID 174944761
acridin-9-yl propanoate
CID 174709653
1-[4-(2-aminoquinazolin-4-yl)piperidin-1-yl]ethanone
CID 15428776
3-cyclopropylquinoxaline-2-carboxamide
CID 166141108
quinolin-4-yl propanoate
CID 174834385
1,3-benzoxazol-2-yl propanoate
CID 57266328
phenyl propanoate
CID 161258381
4-cyclohexylquinazolin-2-amine
CID 66520631
2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-amine
CID 163732207
9-amino-1,2,3,4-tetrahydroacridine-3,4-diol
CID 54064271
3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid
CID 42809423
ethyl (Z,5R)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-5-hydroxy-3-oxohept-6-enoate
CID 97041195

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-cyclopropylquinolin-3-yl) propanoate?
The IUPAC name of (4-amino-2-cyclopropylquinolin-3-yl) propanoate (CID 174944760) is (4-amino-2-cyclopropylquinolin-3-yl) propanoate.
What is the SMILES notation for (4-amino-2-cyclopropylquinolin-3-yl) propanoate?
The canonical SMILES for (4-amino-2-cyclopropylquinolin-3-yl) propanoate is CCC(=O)Oc1c(C2CC2)nc2ccccc2c1N.
What is the InChIKey of (4-amino-2-cyclopropylquinolin-3-yl) propanoate?
The InChIKey is XVJAOPNXBHXAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-12(18)19-15-13(16)10-5-3-4-6-11(10)17-14(15)9-7-8-9/h3-6,9H,2,7-8H2,1H3,(H2,16,17).
What are the key properties of (4-amino-2-cyclopropylquinolin-3-yl) propanoate?
(4-amino-2-cyclopropylquinolin-3-yl) propanoate has a molecular weight of 256.30 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-cyclopropylquinolin-3-yl) propanoate is sourced from PubChem (CID 174944760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).