N-[(3S,4R)-3-methoxyoxan-4-yl]-3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanamide

C19H24N2O4 — CID 91795462

IUPACN-[(3S,4R)-3-methoxyoxan-4-yl]-3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)CCc1c(C)[nH]c2ccccc2c1=O
InChIInChI=1S/C19H24N2O4/c1-12-13(19(23)14-5-3-4-6-15(14)20-12)7-8-18(22)21-16-9-10-25-11-17(16)24-2/h3-6,16-17H,7-11H2,1-2H3,(H,20,23)(H,21,22)/t16-,17-/m1/s1
InChIKeyKXNBSXMFJBTWKZ-IAGOWNOFSA-N
MW344.41 g/mol
LogP1.69
Rot. Bonds5

About N-[(3S,4R)-3-methoxyoxan-4-yl]-3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanamide

N-[(3S,4R)-3-methoxyoxan-4-yl]-3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 91795462) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(3S,4R)-3-methoxyoxan-4-yl]-3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-methoxyoxan-4-yl]-3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanamide
PubChem CID91795462
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[(3S,4R)-3-methoxyoxan-4-yl]-3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)CCc1c(C)[nH]c2ccccc2c1=O
InChIInChI=1S/C19H24N2O4/c1-12-13(19(23)14-5-3-4-6-15(14)20-12)7-8-18(22)21-16-9-10-25-11-17(16)24-2/h3-6,16-17H,7-11H2,1-2H3,(H,20,23)(H,21,22)/t16-,17-/m1/s1
InChIKeyKXNBSXMFJBTWKZ-IAGOWNOFSA-N
XLogP1.69
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-methoxyoxan-4-yl]-3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[(3S,4R)-3-methoxyoxan-4-yl]-3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanamide (CID 91795462) is N-[(3S,4R)-3-methoxyoxan-4-yl]-3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[(3S,4R)-3-methoxyoxan-4-yl]-3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[(3S,4R)-3-methoxyoxan-4-yl]-3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanamide is CO[C@@H]1COCC[C@H]1NC(=O)CCc1c(C)[nH]c2ccccc2c1=O.
What is the InChIKey of N-[(3S,4R)-3-methoxyoxan-4-yl]-3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is KXNBSXMFJBTWKZ-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12-13(19(23)14-5-3-4-6-15(14)20-12)7-8-18(22)21-16-9-10-25-11-17(16)24-2/h3-6,16-17H,7-11H2,1-2H3,(H,20,23)(H,21,22)/t16-,17-/m1/s1.
What are the key properties of N-[(3S,4R)-3-methoxyoxan-4-yl]-3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanamide?
N-[(3S,4R)-3-methoxyoxan-4-yl]-3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 344.41 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-methoxyoxan-4-yl]-3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 91795462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).