(2R)-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide

C28H34FN3O5 — CID 26353475

IUPAC(2R)-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide
SMILESCOc1cc2nc(N(C)C)c(CN(CCc3ccc(F)cc3)C(=O)[C@H]3CCCO3)cc2c(OC)c1OC
InChIInChI=1S/C28H34FN3O5/c1-31(2)27-19(15-21-22(30-27)16-24(34-3)26(36-5)25(21)35-4)17-32(28(33)23-7-6-14-37-23)13-12-18-8-10-20(29)11-9-18/h8-11,15-16,23H,6-7,12-14,17H2,1-5H3/t23-/m1/s1
InChIKeyXIRNNZVTONFOML-HSZRJFAPSA-N
MW511.59 g/mol
LogP4.22
Rot. Bonds10

About (2R)-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide

(2R)-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide (PubChem CID 26353475) has the molecular formula C28H34FN3O5 and a molecular weight of 511.59 g/mol. Its IUPAC name is (2R)-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide
PubChem CID26353475
Molecular FormulaC28H34FN3O5
Molecular Weight511.59 g/mol
Exact Mass511.25
IUPAC Name(2R)-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide
SMILESCOc1cc2nc(N(C)C)c(CN(CCc3ccc(F)cc3)C(=O)[C@H]3CCCO3)cc2c(OC)c1OC
InChIInChI=1S/C28H34FN3O5/c1-31(2)27-19(15-21-22(30-27)16-24(34-3)26(36-5)25(21)35-4)17-32(28(33)23-7-6-14-37-23)13-12-18-8-10-20(29)11-9-18/h8-11,15-16,23H,6-7,12-14,17H2,1-5H3/t23-/m1/s1
InChIKeyXIRNNZVTONFOML-HSZRJFAPSA-N
XLogP4.22
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.59
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2R)-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide with MolForge

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Related Compounds

Alfuzosin
CID 2092
Terazosin
CID 5401
[4-(4-Amino-6,7-Dimethoxyquinazolin-2-Yl)piperazin-1-Yl][(2r)-Tetrahydrofuran-2-Yl]methanone
CID 1398859
(S)-Terazosin
CID 969465
Alfuzosin, (S)-
CID 6604442
1-[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piperazin-1-yl]-2-(2-isopropyl-6-methoxy-phenoxy)-propan-1-one
CID 10577609
1-[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piperazin-1-yl]-2-(2,6-dimethoxy-phenoxy)-ethanone
CID 10790988
[4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 15591663
N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 45167266
N-{[6-(dimethylamino)[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl}-2-methoxy-N-(tetrahydro-2-furanylmethyl)benzamide
CID 45166077
N-[3-[(6,7-dimethoxy-4-methylquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide
CID 53321473
N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]-N-methyloxolane-2-carboxamide;hydrochloride
CID 12919460

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide (CID 26353475) is (2R)-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide is COc1cc2nc(N(C)C)c(CN(CCc3ccc(F)cc3)C(=O)[C@H]3CCCO3)cc2c(OC)c1OC.
What is the InChIKey of (2R)-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide?
The InChIKey is XIRNNZVTONFOML-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H34FN3O5/c1-31(2)27-19(15-21-22(30-27)16-24(34-3)26(36-5)25(21)35-4)17-32(28(33)23-7-6-14-37-23)13-12-18-8-10-20(29)11-9-18/h8-11,15-16,23H,6-7,12-14,17H2,1-5H3/t23-/m1/s1.
What are the key properties of (2R)-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide?
(2R)-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide has a molecular weight of 511.59 g/mol, XLogP of 4.22, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 26353475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).