(4S)-1-methyl-N-[(1R,2R)-1-morpholin-4-yl-2,3-dihydro-1H-inden-2-yl]-2-oxo-3,4-dihydroquinoline-4-carboxamide

C24H27N3O3 — CID 134330963

IUPAC(4S)-1-methyl-N-[(1R,2R)-1-morpholin-4-yl-2,3-dihydro-1H-inden-2-yl]-2-oxo-3,4-dihydroquinoline-4-carboxamide
SMILESCN1C(=O)C[C@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2N2CCOCC2)c2ccccc21
InChIInChI=1S/C24H27N3O3/c1-26-21-9-5-4-8-18(21)19(15-22(26)28)24(29)25-20-14-16-6-2-3-7-17(16)23(20)27-10-12-30-13-11-27/h2-9,19-20,23H,10-15H2,1H3,(H,25,29)/t19-,20+,23+/m0/s1
InChIKeyAPKNYBJBWFFEME-MIZPHKNDSA-N
MW405.50 g/mol
LogP2.25
Rot. Bonds3

About (4S)-1-methyl-N-[(1R,2R)-1-morpholin-4-yl-2,3-dihydro-1H-inden-2-yl]-2-oxo-3,4-dihydroquinoline-4-carboxamide

(4S)-1-methyl-N-[(1R,2R)-1-morpholin-4-yl-2,3-dihydro-1H-inden-2-yl]-2-oxo-3,4-dihydroquinoline-4-carboxamide (PubChem CID 134330963) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is (4S)-1-methyl-N-[(1R,2R)-1-morpholin-4-yl-2,3-dihydro-1H-inden-2-yl]-2-oxo-3,4-dihydroquinoline-4-carboxamide.

Molecular Properties

Compound Name(4S)-1-methyl-N-[(1R,2R)-1-morpholin-4-yl-2,3-dihydro-1H-inden-2-yl]-2-oxo-3,4-dihydroquinoline-4-carboxamide
PubChem CID134330963
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name(4S)-1-methyl-N-[(1R,2R)-1-morpholin-4-yl-2,3-dihydro-1H-inden-2-yl]-2-oxo-3,4-dihydroquinoline-4-carboxamide
SMILESCN1C(=O)C[C@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2N2CCOCC2)c2ccccc21
InChIInChI=1S/C24H27N3O3/c1-26-21-9-5-4-8-18(21)19(15-22(26)28)24(29)25-20-14-16-6-2-3-7-17(16)23(20)27-10-12-30-13-11-27/h2-9,19-20,23H,10-15H2,1H3,(H,25,29)/t19-,20+,23+/m0/s1
InChIKeyAPKNYBJBWFFEME-MIZPHKNDSA-N
XLogP2.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-methyl-N-[(1R,2R)-1-morpholin-4-yl-2,3-dihydro-1H-inden-2-yl]-2-oxo-3,4-dihydroquinoline-4-carboxamide?
The IUPAC name of (4S)-1-methyl-N-[(1R,2R)-1-morpholin-4-yl-2,3-dihydro-1H-inden-2-yl]-2-oxo-3,4-dihydroquinoline-4-carboxamide (CID 134330963) is (4S)-1-methyl-N-[(1R,2R)-1-morpholin-4-yl-2,3-dihydro-1H-inden-2-yl]-2-oxo-3,4-dihydroquinoline-4-carboxamide.
What is the SMILES notation for (4S)-1-methyl-N-[(1R,2R)-1-morpholin-4-yl-2,3-dihydro-1H-inden-2-yl]-2-oxo-3,4-dihydroquinoline-4-carboxamide?
The canonical SMILES for (4S)-1-methyl-N-[(1R,2R)-1-morpholin-4-yl-2,3-dihydro-1H-inden-2-yl]-2-oxo-3,4-dihydroquinoline-4-carboxamide is CN1C(=O)C[C@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2N2CCOCC2)c2ccccc21.
What is the InChIKey of (4S)-1-methyl-N-[(1R,2R)-1-morpholin-4-yl-2,3-dihydro-1H-inden-2-yl]-2-oxo-3,4-dihydroquinoline-4-carboxamide?
The InChIKey is APKNYBJBWFFEME-MIZPHKNDSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-26-21-9-5-4-8-18(21)19(15-22(26)28)24(29)25-20-14-16-6-2-3-7-17(16)23(20)27-10-12-30-13-11-27/h2-9,19-20,23H,10-15H2,1H3,(H,25,29)/t19-,20+,23+/m0/s1.
What are the key properties of (4S)-1-methyl-N-[(1R,2R)-1-morpholin-4-yl-2,3-dihydro-1H-inden-2-yl]-2-oxo-3,4-dihydroquinoline-4-carboxamide?
(4S)-1-methyl-N-[(1R,2R)-1-morpholin-4-yl-2,3-dihydro-1H-inden-2-yl]-2-oxo-3,4-dihydroquinoline-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-methyl-N-[(1R,2R)-1-morpholin-4-yl-2,3-dihydro-1H-inden-2-yl]-2-oxo-3,4-dihydroquinoline-4-carboxamide is sourced from PubChem (CID 134330963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).