(2S)-2-[4-[difluoro(phosphanyl)methoxy]-3-(1-ethyl-4,6-dimethyl-2-oxo-3,4-dihydroquinolin-7-yl)phenyl]cyclopropane-1-carboxamide

C24H27F2N2O3P — CID 143435760

IUPAC(2S)-2-[4-[difluoro(phosphanyl)methoxy]-3-(1-ethyl-4,6-dimethyl-2-oxo-3,4-dihydroquinolin-7-yl)phenyl]cyclopropane-1-carboxamide
SMILESCCN1C(=O)CC(C)c2cc(C)c(-c3cc([C@H]4CC4C(N)=O)ccc3OC(F)(F)P)cc21
InChIInChI=1S/C24H27F2N2O3P/c1-4-28-20-11-15(12(2)7-16(20)13(3)8-22(28)29)18-9-14(17-10-19(17)23(27)30)5-6-21(18)31-24(25,26)32/h5-7,9,11,13,17,19H,4,8,10,32H2,1-3H3,(H2,27,30)/t13?,17-,19?/m1/s1
InChIKeyIECFENNWWQCGGS-IUNXBHMESA-N
MW460.46 g/mol
LogP4.92
Rot. Bonds6

About (2S)-2-[4-[difluoro(phosphanyl)methoxy]-3-(1-ethyl-4,6-dimethyl-2-oxo-3,4-dihydroquinolin-7-yl)phenyl]cyclopropane-1-carboxamide

(2S)-2-[4-[difluoro(phosphanyl)methoxy]-3-(1-ethyl-4,6-dimethyl-2-oxo-3,4-dihydroquinolin-7-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 143435760) has the molecular formula C24H27F2N2O3P and a molecular weight of 460.46 g/mol. Its IUPAC name is (2S)-2-[4-[difluoro(phosphanyl)methoxy]-3-(1-ethyl-4,6-dimethyl-2-oxo-3,4-dihydroquinolin-7-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-[4-[difluoro(phosphanyl)methoxy]-3-(1-ethyl-4,6-dimethyl-2-oxo-3,4-dihydroquinolin-7-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID143435760
Molecular FormulaC24H27F2N2O3P
Molecular Weight460.46 g/mol
Exact Mass460.17
IUPAC Name(2S)-2-[4-[difluoro(phosphanyl)methoxy]-3-(1-ethyl-4,6-dimethyl-2-oxo-3,4-dihydroquinolin-7-yl)phenyl]cyclopropane-1-carboxamide
SMILESCCN1C(=O)CC(C)c2cc(C)c(-c3cc([C@H]4CC4C(N)=O)ccc3OC(F)(F)P)cc21
InChIInChI=1S/C24H27F2N2O3P/c1-4-28-20-11-15(12(2)7-16(20)13(3)8-22(28)29)18-9-14(17-10-19(17)23(27)30)5-6-21(18)31-24(25,26)32/h5-7,9,11,13,17,19H,4,8,10,32H2,1-3H3,(H2,27,30)/t13?,17-,19?/m1/s1
InChIKeyIECFENNWWQCGGS-IUNXBHMESA-N
XLogP4.92
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[difluoro(phosphanyl)methoxy]-3-(1-ethyl-4,6-dimethyl-2-oxo-3,4-dihydroquinolin-7-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of (2S)-2-[4-[difluoro(phosphanyl)methoxy]-3-(1-ethyl-4,6-dimethyl-2-oxo-3,4-dihydroquinolin-7-yl)phenyl]cyclopropane-1-carboxamide (CID 143435760) is (2S)-2-[4-[difluoro(phosphanyl)methoxy]-3-(1-ethyl-4,6-dimethyl-2-oxo-3,4-dihydroquinolin-7-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (2S)-2-[4-[difluoro(phosphanyl)methoxy]-3-(1-ethyl-4,6-dimethyl-2-oxo-3,4-dihydroquinolin-7-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for (2S)-2-[4-[difluoro(phosphanyl)methoxy]-3-(1-ethyl-4,6-dimethyl-2-oxo-3,4-dihydroquinolin-7-yl)phenyl]cyclopropane-1-carboxamide is CCN1C(=O)CC(C)c2cc(C)c(-c3cc([C@H]4CC4C(N)=O)ccc3OC(F)(F)P)cc21.
What is the InChIKey of (2S)-2-[4-[difluoro(phosphanyl)methoxy]-3-(1-ethyl-4,6-dimethyl-2-oxo-3,4-dihydroquinolin-7-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is IECFENNWWQCGGS-IUNXBHMESA-N. The full InChI is InChI=1S/C24H27F2N2O3P/c1-4-28-20-11-15(12(2)7-16(20)13(3)8-22(28)29)18-9-14(17-10-19(17)23(27)30)5-6-21(18)31-24(25,26)32/h5-7,9,11,13,17,19H,4,8,10,32H2,1-3H3,(H2,27,30)/t13?,17-,19?/m1/s1.
What are the key properties of (2S)-2-[4-[difluoro(phosphanyl)methoxy]-3-(1-ethyl-4,6-dimethyl-2-oxo-3,4-dihydroquinolin-7-yl)phenyl]cyclopropane-1-carboxamide?
(2S)-2-[4-[difluoro(phosphanyl)methoxy]-3-(1-ethyl-4,6-dimethyl-2-oxo-3,4-dihydroquinolin-7-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 460.46 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[difluoro(phosphanyl)methoxy]-3-(1-ethyl-4,6-dimethyl-2-oxo-3,4-dihydroquinolin-7-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 143435760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).