quinolin-2-yl (2S)-2-(decanoylamino)propanoate

C22H30N2O3 — CID 91488832

IUPACquinolin-2-yl (2S)-2-(decanoylamino)propanoate
SMILESCCCCCCCCCC(=O)N[C@@H](C)C(=O)Oc1ccc2ccccc2n1
InChIInChI=1S/C22H30N2O3/c1-3-4-5-6-7-8-9-14-20(25)23-17(2)22(26)27-21-16-15-18-12-10-11-13-19(18)24-21/h10-13,15-17H,3-9,14H2,1-2H3,(H,23,25)/t17-/m0/s1
InChIKeyVAGNUXBSDNRUFV-KRWDZBQOSA-N
MW370.49 g/mol
LogP4.79
Rot. Bonds11

About quinolin-2-yl (2S)-2-(decanoylamino)propanoate

quinolin-2-yl (2S)-2-(decanoylamino)propanoate (PubChem CID 91488832) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is quinolin-2-yl (2S)-2-(decanoylamino)propanoate.

Molecular Properties

Compound Namequinolin-2-yl (2S)-2-(decanoylamino)propanoate
PubChem CID91488832
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Namequinolin-2-yl (2S)-2-(decanoylamino)propanoate
SMILESCCCCCCCCCC(=O)N[C@@H](C)C(=O)Oc1ccc2ccccc2n1
InChIInChI=1S/C22H30N2O3/c1-3-4-5-6-7-8-9-14-20(25)23-17(2)22(26)27-21-16-15-18-12-10-11-13-19(18)24-21/h10-13,15-17H,3-9,14H2,1-2H3,(H,23,25)/t17-/m0/s1
InChIKeyVAGNUXBSDNRUFV-KRWDZBQOSA-N
XLogP4.79
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 2-(dodecanoylamino)propanoate
CID 18625142
N-(1-naphthalen-1-ylethyl)tetradecanamide
CID 86181225
(Z)-N-quinolin-2-yloctadec-9-enamide
CID 145189390
sodium (2S)-2-(heptadecanoylamino)propanoate
CID 141395192
methyl (2S)-2-(7-oxododecanoylamino)propanoate
CID 54049046
N-(2-methoxyquinolin-8-yl)heptanamide
CID 141137919
N-(1-naphthalen-2-ylethyl)hexanamide
CID 112762295
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
tert-butyl (2R)-2-(nonanoylamino)propanoate
CID 81004296
11-quinolin-2-yloxyundecan-2-one
CID 19898708
hexyl 2-(pentanoylamino)propanoate
CID 6420522
N-heptan-2-ylquinoline-2-carboxamide
CID 46571103

Frequently Asked Questions

What is the IUPAC name of quinolin-2-yl (2S)-2-(decanoylamino)propanoate?
The IUPAC name of quinolin-2-yl (2S)-2-(decanoylamino)propanoate (CID 91488832) is quinolin-2-yl (2S)-2-(decanoylamino)propanoate.
What is the SMILES notation for quinolin-2-yl (2S)-2-(decanoylamino)propanoate?
The canonical SMILES for quinolin-2-yl (2S)-2-(decanoylamino)propanoate is CCCCCCCCCC(=O)N[C@@H](C)C(=O)Oc1ccc2ccccc2n1.
What is the InChIKey of quinolin-2-yl (2S)-2-(decanoylamino)propanoate?
The InChIKey is VAGNUXBSDNRUFV-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-3-4-5-6-7-8-9-14-20(25)23-17(2)22(26)27-21-16-15-18-12-10-11-13-19(18)24-21/h10-13,15-17H,3-9,14H2,1-2H3,(H,23,25)/t17-/m0/s1.
What are the key properties of quinolin-2-yl (2S)-2-(decanoylamino)propanoate?
quinolin-2-yl (2S)-2-(decanoylamino)propanoate has a molecular weight of 370.49 g/mol, XLogP of 4.79, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-2-yl (2S)-2-(decanoylamino)propanoate is sourced from PubChem (CID 91488832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).